SCHEMBL17229784

SCHEMBL17229784

CC(C)c1nn(C)c2cc(F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
SSTR4 P31391 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
MAPK8 P45983 1/20 0.37
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PIK3CD O00329 8/20 0.34
ESR1 P03372 1/20 0.34
SYK P43405 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18798836 0.87 ATM (0.36) ATMSSTR4KDM4CHTR2CHTR2A
SCHEMBL17229807 0.86 MAPK8 (0.40) SSTR4KDM4CMAPK8HTR2CHTR2A
SCHEMBL17229789 0.81 RBP4 (0.42) ATMHTR2CHTR2APIK3CDSYK
SCHEMBL18999667 0.81 ADORA2A (0.37) SSTR4MAPK8ADORA2AADORA2BESR1
SCHEMBL26289032 0.79 PDGFRA (0.39) MAPK8HTR2CHTR2AADORA2AADORA2B
SCHEMBL17229778 0.79 ADORA2A (0.41) HTR2CHTR2AADORA2AADORA2BPIK3CD
SCHEMBL21649219 0.77 SLC22A12 (0.41) SSTR4MAPK8ADORA2AADORA2BESR1
SCHEMBL21649255 0.77 ADORA2A (0.34) MAPK8ADORA2AADORA2BESR1
SCHEMBL13106177 0.77 ADORA2A (0.59) ATMSSTR4KDM4CADORA2AADORA2B
SCHEMBL16675970 0.76 HASPIN (0.42) ATMHTR2CHTR2APIK3CDESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-16 US disclosed
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-11-25 US disclosed
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-02-09 US disclosed
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-02-25 US disclosed
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-24 US disclosed
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-10 US disclosed
US-10273243-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-30 US disclosed
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 US disclosed
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 US disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 US disclosed
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-01 US disclosed
US-9777010-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-03 US disclosed
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-31 US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 US disclosed
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-22 US disclosed
US-9434727-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-09-06 US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 US disclosed
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10273243-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 ATM 4290/4885SSTR4 214/4885KDM4C 403/4885
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 ATM 4470/4885SSTR4 221/4885KDM4C 703/4885
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use HRH3, CBR3, KCNH3 ATM 4550/4885SSTR4 904/4885KDM4C 226/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS ATM 4755/4885SSTR4 320/4885KDM4C 1317/4885
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 ATM 4470/4885SSTR4 221/4885KDM4C 703/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 ATM 4476/4885SSTR4 193/4885KDM4C 756/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 ATM 4244/4885SSTR4 226/4885KDM4C 452/4885
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 ATM 4470/4885SSTR4 221/4885KDM4C 703/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S ATM 4044/4885SSTR4 926/4885KDM4C 3968/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 ATM 4550/4885SSTR4 904/4885KDM4C 226/4885
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use CLN6, ALDH1A2, C1S ATM 4044/4885SSTR4 926/4885KDM4C 3968/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 ATM 4550/4885SSTR4 904/4885KDM4C 226/4885
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 ATM 4470/4885SSTR4 221/4885KDM4C 703/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S ATM 4044/4885SSTR4 926/4885KDM4C 3968/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 ATM 4470/4885SSTR4 221/4885KDM4C 703/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.