SCHEMBL3096010

SCHEMBL3096010

COc1cccc(C2(O)CCCN(C(=O)c3cccc(F)c3)C2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
CYP3A4 P08684 8/20 0.57
CYP1A2 P05177 2/20 0.57
USP2 O75604 4/20 0.55
GRIN2B Q13224 1/20 0.54
LMNA P02545 1/20 0.52
CYP2D6 P10635 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PROKR1 Q8TCW9 1/20 0.50
KMT2A Q03164 1/20 0.49

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
SCHEMBL3091158 0.93 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2USP2GRIN2B
SCHEMBL3080049 0.91 PROKR1 (0.53) ALDH1A1CYP3A4CYP1A2USP2GRIN2B
SCHEMBL3081026 0.88 LMNA (0.53) ALDH1A1CYP3A4CYP1A2GRIN2BLMNA
SCHEMBL3088779 0.88 HPGD (0.52) ALDH1A1CYP3A4CYP1A2LMNATP53
SCHEMBL3073809 0.87 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP1A2GRIN2BLMNA
SCHEMBL3081032 0.87 CYP3A4 (0.56) ALDH1A1CYP3A4CYP1A2USP2LMNA
SCHEMBL3095963 0.87 LMNA (0.54) ALDH1A1CYP3A4CYP1A2USP2GRIN2B
SCHEMBL3093616 0.86 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP1A2USP2GRIN2B
SCHEMBL3086922 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP1A2USP2LMNA
SCHEMBL3079273 0.85 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP1A2USP2GRIN2B

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 8 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
EP-1771417-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2007-04-11 EP claimed
WO-2006010577-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2006-02-02 WO 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
EP-1771417-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2007-04-11 EP disclosed
WO-2006010577-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2006-02-02 WO 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 ALDH1A1 698/4885CYP3A4 113/4885CYP1A2 67/4885

“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.