SCHEMBL17229685

SCHEMBL17229685

BC(=O)N1CCC(c2cc(C)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.43
LIPE Q05469 1/20 0.42
CNR1 P21554 3/20 0.41
FFAR4 Q5NUL3 1/20 0.39
QDPR P09417 1/20 0.39
P2RY14 Q15391 3/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1E P28566 1/20 0.39
TSPO P30536 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
HTR5A P47898 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
DRD2 P14416 1/20 0.38
IDO1 P14902 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
SCHEMBL17232803 0.90 RBP4 (0.47) RBP4LIPECNR1QDPRP2RY14
SCHEMBL19829387 0.85 QDPR (0.46) LIPEQDPRKCNH2
SCHEMBL26748213 0.80 RBP4 (0.43) RBP4LIPECNR1FFAR4KCNH2
SCHEMBL428040 0.80 DRD2 (0.46) QDPRP2RY14KCNH2DRD2
SCHEMBL16729426 0.79 NOTUM (0.46) CNR1FFAR4DRD2
SCHEMBL10104276 0.76 ADCY8 (0.42) ADRA1ADRD2
SCHEMBL17229894 0.74 RBP4 (0.63) RBP4
SCHEMBL17229664 0.74 RBP4 (0.69) RBP4
SCHEMBL17229648 0.74 RBP4 (0.72) RBP4
SCHEMBL17229877 0.72 HTR2C (0.62) P2RY14ADRB3ADRA2CDRD1DRD5

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 RBP4 1884/4885LIPE 2600/4885CNR1 25/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 RBP4 1950/4885LIPE 2535/4885CNR1 21/4885

“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.