SCHEMBL17229672

SCHEMBL17229672

BC(=O)N1CCC(c2c(C)cccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
ABCB1 P08183 1/20 0.39
RBP4 P02753 2/20 0.39
BRD4 O60885 1/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
SCD5 Q86SK9 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL3466609 0.87 HSD11B1 (0.44) HSD11B1ABCB1RBP4BRD4KMT2A
SCHEMBL17232802 0.82 RBP4 (0.53) RBP4
SCHEMBL17229667 0.81 DRD4 (0.42) RBP4BRD4KMT2ATRPV1MEN1
SCHEMBL3467159 0.80 GPR119 (0.51) KMT2AMEN1SMN1; SMN2
SCHEMBL16950778 0.79 ABCB1 (0.51) ABCB1ALDH1A1
SCHEMBL21965087 0.78 OPRL1 (0.47) ABCB1ALDH1A1
SCHEMBL3436632 0.76 DRD4 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1OPRM1
SCHEMBL17229661 0.75 OPRL1 (0.42) RBP4
SCHEMBL17229684 0.75 OPRL1 (0.54) HSD11B1TRPV1OPRM1
SCHEMBL17234876 0.75 RBP4 (0.54) RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (2 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 HSD11B1 2354/4885ABCB1 244/4885RBP4 1884/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 HSD11B1 2319/4885ABCB1 251/4885RBP4 1950/4885

“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.