SCHEMBL3080412

SCHEMBL3080412

COc1cccc(C2(O)CCCN(C(=O)c3ccc(Cl)cc3Cl)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GRIN2B Q13224 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A9 P48067 1/20 0.43
TSHR P16473 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3086931 0.87 ALDH1A1 (0.55) ALDH1A1GRIN2BTSHRMAPK1TDP1
SCHEMBL3086716 0.83 HTR1A (0.50) ALDH1A1OPRD1OPRK1MAPK1TDP1
SCHEMBL3093616 0.82 ALDH1A1 (0.47) ALDH1A1GRIN2BNPC1RAB9AATM
SCHEMBL3079279 0.82 ALDH1A1 (0.49) ALDH1A1GRIN2BNPC1RAB9AATM
SCHEMBL3086823 0.82 NPC1 (0.49) ALDH1A1GRIN2BNPC1RAB9AATM
SCHEMBL3081032 0.81 CYP3A4 (0.56) ALDH1A1TSHRMAPK1LMNA
SCHEMBL3084860 0.81 HPGD (0.51) ALDH1A1GRIN2BNPC1RAB9AATM
SCHEMBL3079273 0.79 ALDH1A1 (0.51) ALDH1A1GRIN2BTSHROPRM1OPRD1
SCHEMBL3073809 0.79 ALDH1A1 (0.51) ALDH1A1GRIN2BNPC1RAB9AATM
SCHEMBL3086692 0.79 ALDH1A1 (0.47) ALDH1A1GRIN2BNPC1RAB9AATM

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 6 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
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 698/4885GRIN2B 357/4885NPC1 1170/4885

“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.