SCHEMBL3087858

SCHEMBL3087858

COc1cccc(C2(O)CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.55
USP2 O75604 13/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 5/20 0.53
RHOA P61586 1/20 0.53
CYP1A2 P05177 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP2D6 P10635 3/20 0.51
HIF1A Q16665 2/20 0.51
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 4/20 0.48
GRIN2B Q13224 1/20 0.47

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
SCHEMBL3095963 0.93 LMNA (0.54) CYP3A4USP2MAPK1TSHRRHOA
SCHEMBL3091158 0.87 ALDH1A1 (0.52) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL3081032 0.85 CYP3A4 (0.56) CYP3A4USP2MAPK1TSHRCYP1A2
SCHEMBL3080049 0.85 PROKR1 (0.53) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL3085181 0.84 ALDH1A1 (0.52) CYP1A2ALDH1A1
SCHEMBL3096010 0.84 ALDH1A1 (0.63) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL3079273 0.83 ALDH1A1 (0.51) CYP3A4USP2TSHRCYP1A2ALDH1A1
SCHEMBL3086931 0.82 ALDH1A1 (0.55) CYP3A4USP2MAPK1TSHRCYP1A2
SCHEMBL3081026 0.82 LMNA (0.53) CYP3A4CYP1A2ALDH1A1GRIN2B
SCHEMBL3075559 0.82 ALDH1A1 (0.50) CYP3A4USP2MAPK1TSHRCYP1A2

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-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US claimed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 US claimed
US-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US disclosed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 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 (1 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-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use OPRK1, OPRD1, OPRL1 CYP3A4 113/4885USP2 4164/4885MAPK1 1357/4885

“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.