SCHEMBL3079378

SCHEMBL3079378

COc1cccc(C2(O)CCCN(C(=O)CCc3ccccc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
NPC1 O15118 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
LMNA P02545 1/20 0.46
FFAR1 O14842 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
HPGD P15428 1/20 0.44
GRIN2B Q13224 2/20 0.44

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
SCHEMBL3080862 0.90 ALDH1A1 (0.60) ALDH1A1RAB9AKDM4ETDP1OPRM1
SCHEMBL3088506 0.85 GAA (0.51) ALDH1A1RAB9ANPC1TDP1OPRM1
SCHEMBL5166952 0.81 HRH3 (0.55) ALDH1A1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL3085793 0.80 HRH3 (0.54) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3087292 0.79 OPRK1 (0.57) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3081018 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBOPRM1OPRD1
SCHEMBL3093283 0.78 CYP3A4 (0.54) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL3081032 0.78 CYP3A4 (0.56) ALDH1A1LMNASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL11194779 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBOPRM1OPRD1
SCHEMBL3086922 0.76 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1OPRM1OPRD1

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 698/4885RAB9A 1423/4885KDM4E 759/4885

“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.