SCHEMBL3080049

SCHEMBL3080049

COc1cccc(C2(O)CCCN(C(=O)c3ccc(F)cc3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.53
HSD11B1 P28845 1/20 0.51
CYP3A4 P08684 6/20 0.51
CYP2C19 P33261 5/20 0.51
CYP1A2 P05177 5/20 0.51
USP2 O75604 4/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
GRIN2B Q13224 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PKLR P30613 1/20 0.45

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
SCHEMBL3081032 0.92 CYP3A4 (0.56) CYP3A4CYP2C19CYP1A2USP2CYP2C9
SCHEMBL3091158 0.92 ALDH1A1 (0.52) PROKR1HSD11B1CYP3A4CYP2C19CYP1A2
SCHEMBL3096010 0.91 ALDH1A1 (0.63) PROKR1CYP3A4CYP2C19CYP1A2USP2
SCHEMBL3079273 0.90 ALDH1A1 (0.51) CYP3A4CYP2C19CYP1A2USP2CYP2C9
SCHEMBL3083741 0.89 ALDH1A1 (0.50) CYP3A4CYP2C19CYP1A2USP2CYP2C9
SCHEMBL3075559 0.89 ALDH1A1 (0.50) CYP3A4CYP2C19CYP1A2USP2CYP2C9
SCHEMBL3086931 0.89 ALDH1A1 (0.55) CYP3A4CYP2C19CYP1A2USP2ALDH1A1
SCHEMBL3093616 0.87 ALDH1A1 (0.47) PROKR1CYP3A4CYP2C19CYP1A2USP2
SCHEMBL3080451 0.87 CYP3A4 (0.54) CYP3A4CYP2C19CYP1A2USP2CYP2C9
SCHEMBL3086922 0.86 ALDH1A1 (0.49) PROKR1CYP3A4CYP2C19CYP1A2USP2

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 PROKR1 3842/4885HSD11B1 3825/4885CYP3A4 113/4885

“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.