SCHEMBL17518082

SCHEMBL17518082

CCC(=O)N1CCCc2[nH]nc(C)c2C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.54
BRD4 O60885 2/20 0.54
EP300 Q09472 9/20 0.49
MAPK1 P28482 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
KMT2A Q03164 1/20 0.36
RBP4 P02753 2/20 0.35
TSHR P16473 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
KDR P35968 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
SCHEMBL17232734 0.92 CREBBP (0.63) CREBBPBRD4EP300MAPK1RBP4
SCHEMBL17232669 0.86 CGAS (0.43) CREBBPBRD4EP300MAPK1HCAR2
SCHEMBL17518081 0.85 CREBBP (0.40) CREBBPBRD4EP300RBP4KDR
SCHEMBL19831875 0.85 CREBBP (0.53) CREBBPBRD4EP300MAPK1HCAR2
SCHEMBL17232680 0.84 CREBBP (0.40) CREBBPBRD4EP300MAPK1
SCHEMBL16123841 0.84 EP300 (0.50) CREBBPBRD4EP300MAPK1KDR
SCHEMBL17232799 0.84 CREBBP (0.47) CREBBPBRD4EP300RBP4
SCHEMBL17229760 0.84 CREBBP (0.52) CREBBPBRD4EP300MAPK1HCAR2
SCHEMBL16118430 0.83 CREBBP (0.53) CREBBPBRD4EP300MAPK1RBP4
SCHEMBL18798819 0.83 CREBBP (0.38) CREBBPBRD4EP300MAPK1HCAR2

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 11 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-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

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 CREBBP 2642/4885BRD4 1651/4885EP300 2060/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CREBBP 1416/4885BRD4 72/4885EP300 208/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CREBBP 1412/4885BRD4 57/4885EP300 192/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CREBBP 2111/4885BRD4 1237/4885EP300 1019/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CREBBP 2603/4885BRD4 45/4885EP300 124/4885

“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.