SCHEMBL13687344

SCHEMBL13687344

Cc1nnc2ccc(C(N)=O)cn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 2/20 0.46
▸ CCNC P24863 1/20 0.46
▸ MET P08581 2/20 0.41
▸ MAPK14 Q16539 7/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ TGFBR1 P36897 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FYN P06241 1/20 0.36

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
SCHEMBL17232811 0.84 CCNC (0.47) CDK8CCNCMETMAPK14KMT2A
SCHEMBL20343809 0.84 CCNC (0.47) CDK8CCNCMAPK14KMT2AMGLL
SCHEMBL17232834 0.80 CCNC (0.44) CDK8CCNCMETMAPK14BRD4
SCHEMBL19297292 0.80 CCNC (0.44) CDK8CCNCMAPK14BRD4KMT2A
SCHEMBL17234926 0.79 MET (0.49) METMAPK14HTR6KMT2ANOS1
SCHEMBL11914826 0.79 MAPK14 (0.57) METMAPK14NTRK1
SCHEMBL20033636 0.79 HTR6 (0.44) METMAPK14HTR6TGFBR1NOS1
SCHEMBL31119498 0.76 MAPK14 (0.45) METMAPK14HTR6
SCHEMBL17232701 0.75 BRD4 (0.41) MAPK14BRD4KMT2ALMNAKDM4E
SCHEMBL16619439 0.75 CCNC (0.40) CDK8CCNCMAPK14MGLLKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 — — US disclosed
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 — — US disclosed
EP-3137168-B1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2022-01-05 — — EP disclosed
EP-3495357-B1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2021-05-05 — — EP disclosed
EP-2968303-B1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2018-07-04 — — EP 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
EP-2570414-B1 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL MYERS SQUIBB CO (US) 2017-08-30 — — EP 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
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 — — US disclosed
US-7592354-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 — — US disclosed
US-7589102-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 — — 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 (7 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 CDK8 1945/4885CCNC 509/4885MET 693/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CDK8 1331/4885CCNC 1479/4885MET 4407/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CDK8 1962/4885CCNC 521/4885MET 629/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CDK8 1945/4885CCNC 509/4885MET 693/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CDK8 4030/4885CCNC 213/4885MET 3992/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CDK8 1761/4885CCNC 28/4885MET 771/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CDK8 4030/4885CCNC 213/4885MET 3992/4885

“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.

Send feedback