SCHEMBL17518307

SCHEMBL17518307

CC(=O)N1CCc2c(C)nsc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.46
NOTUM Q6P988 1/20 0.42
SHMT2 P34897 1/20 0.42
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.35
BAZ2B Q9UIF8 2/20 0.35
CREBBP Q92793 2/20 0.35
EP300 Q09472 1/20 0.35
BLM P54132 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL17232730 0.87 SHMT2 (0.42) BPTFNOTUMSHMT2ALDH1A1L3MBTL1
SCHEMBL17465961 0.80 BPTF (0.43) BPTFNOTUMSHMT2ALDH1A1L3MBTL1
SCHEMBL19413464 0.80 ALDH1A1 (0.43) BPTFNOTUMSHMT2ALDH1A1L3MBTL1
SCHEMBL24045550 0.77 BPTF (0.40) BPTFNOTUMSHMT2ALDH1A1L3MBTL1
SCHEMBL16127294 0.73 NOTUM (0.41) BPTFNOTUMSHMT2ALDH1A1L3MBTL1
SCHEMBL20033643 0.71 CREBBP (0.39) BPTFNOTUMSHMT2ALDH1A1L3MBTL1
SCHEMBL17229773 0.71 BAZ2B (0.38) BPTFNOTUMSHMT2GRM5MAPT
SCHEMBL26373654 0.68 MAPT (0.41) BPTFNOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL17232743 0.68 SHMT2 (0.54) BPTFNOTUMSHMT2MEN1KMT2A
SCHEMBL8917039 0.68 NOTUM (0.50) BPTFNOTUMALDH1A1L3MBTL1KDM4E

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 10 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
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-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

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

For each of this compound's patents that has machine-readable text (5 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-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS BPTF 3100/4885NOTUM 2353/4885SHMT2 2381/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 BPTF 1856/4885NOTUM 3110/4885SHMT2 4375/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 BPTF 1875/4885NOTUM 3096/4885SHMT2 4382/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S BPTF 3640/4885NOTUM 699/4885SHMT2 1950/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 BPTF 1327/4885NOTUM 2511/4885SHMT2 3881/4885

“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.