SCHEMBL17229750

SCHEMBL17229750

CC(=O)N1CCc2c(C(C)C)noc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.42
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
BAZ2B Q9UIF8 6/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BPTF Q12830 1/20 0.35
CREBBP Q92793 5/20 0.34
EP300 Q09472 4/20 0.34
MAPK1 P28482 1/20 0.34
BRD4 O60885 1/20 0.34
HSP90AA1 P07900 2/20 0.33
KCNK3 O14649 1/20 0.33
ERN1 O75460 1/20 0.32

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
SCHEMBL17229748 0.88 SHMT2 (0.42) SHMT2NOTUMMEN1HPGDKMT2A
SCHEMBL7409530 0.80 SHMT2 (0.45) SHMT2NOTUMMEN1HPGDKMT2A
SCHEMBL17232743 0.80 SHMT2 (0.54) SHMT2NOTUMMEN1HPGDKMT2A
SCHEMBL23642319 0.79 SHMT2 (0.33) SHMT2
SCHEMBL22958084 0.77 SHMT2 (0.42) SHMT2NOTUMMEN1HPGDKMT2A
SCHEMBL24045546 0.77 SHMT2 (0.42) SHMT2NOTUMMEN1HPGDKMT2A
SCHEMBL10816810 0.72 SHMT2 (0.40) SHMT2MEN1HPGDKMT2ALMNA
SCHEMBL17232774 0.71 SHMT2 (0.54) SHMT2NOTUMMEN1HPGDKMT2A
SCHEMBL17229737 0.71 CREBBP (0.43) CREBBPEP300BRD4
SCHEMBL17229622 0.71 MAPK1 (0.48) BAZ2BLMNAMAPTCREBBPEP300

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 20 patents. 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-11028098-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-08 US disclosed
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 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-20190031681-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-01-31 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-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-9938291-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-10 US disclosed
US-9926271-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-03-27 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 (13 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 SHMT2 3634/4885NOTUM 3756/4885MEN1 1695/4885
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 SHMT2 4382/4885NOTUM 3096/4885MEN1 1517/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS SHMT2 2381/4885NOTUM 2353/4885MEN1 2271/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 SHMT2 4375/4885NOTUM 3110/4885MEN1 1619/4885
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 SHMT2 4382/4885NOTUM 3096/4885MEN1 1517/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S SHMT2 1950/4885NOTUM 699/4885MEN1 2772/4885
US-11028098-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 SHMT2 3673/4885NOTUM 3610/4885MEN1 1556/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 SHMT2 3881/4885NOTUM 2511/4885MEN1 893/4885
US-20190031681-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 SHMT2 3673/4885NOTUM 3610/4885MEN1 1556/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 SHMT2 3881/4885NOTUM 2511/4885MEN1 893/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S SHMT2 1950/4885NOTUM 699/4885MEN1 2772/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 SHMT2 4382/4885NOTUM 3096/4885MEN1 1517/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS SHMT2 2381/4885NOTUM 2353/4885MEN1 2271/4885

“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.