SCHEMBL17229733

SCHEMBL17229733

CC(C)c1n[nH]c2c1CN(C(=O)CN)CCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.40
BRD4 O60885 2/20 0.40
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
EP300 Q09472 4/20 0.35
CGAS Q8N884 1/20 0.34
MAPK1 P28482 1/20 0.34
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 3/20 0.34
DPP7 Q9UHL4 3/20 0.34
DPP9 Q86TI2 2/20 0.34
KDR P35968 2/20 0.34
HCAR2 Q8TDS4 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHEK1 O14757 1/20 0.33
TSHR P16473 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
SCHEMBL17229776 0.92 CREBBP (0.47) CREBBPBRD4EP300CGASMAPK1
SCHEMBL17229760 0.88 CREBBP (0.52) CREBBPBRD4PLA2G1BATG4BEP300
SCHEMBL17465959 0.87 CREBBP (0.40) CREBBPBRD4PLA2G1BATG4BEP300
SCHEMBL17229774 0.87 CREBBP (0.36) CREBBPBRD4EP300MAPK1
SCHEMBL17229758 0.86 CGAS (0.42) CREBBPBRD4PLA2G1BATG4BEP300
SCHEMBL17229725 0.85 CREBBP (0.39) CREBBPBRD4PLA2G1BATG4BEP300
SCHEMBL22473874 0.84 CREBBP (0.38) CREBBPBRD4PLA2G1BATG4BEP300
SCHEMBL17465960 0.84 MAPK1 (0.47) CREBBPBRD4PLA2G1BATG4BEP300
SCHEMBL17465956 0.83 PLA2G1B (0.38) CREBBPBRD4PLA2G1BATG4BEP300
SCHEMBL18798822 0.81 BAZ2B (0.40) CREBBPBRD4PLA2G1BATG4BEP300

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 15 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-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-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 (9 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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CREBBP 1412/4885BRD4 57/4885PLA2G1B 2565/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CREBBP 2642/4885BRD4 1651/4885PLA2G1B 3989/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CREBBP 1416/4885BRD4 72/4885PLA2G1B 2602/4885
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CREBBP 1412/4885BRD4 57/4885PLA2G1B 2565/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CREBBP 2111/4885BRD4 1237/4885PLA2G1B 955/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CREBBP 2603/4885BRD4 45/4885PLA2G1B 3049/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CREBBP 2603/4885BRD4 45/4885PLA2G1B 3049/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CREBBP 2111/4885BRD4 1237/4885PLA2G1B 955/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 CREBBP 1412/4885BRD4 57/4885PLA2G1B 2565/4885

“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.