SCHEMBL2534042

SCHEMBL2534042

NC(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.50
SLC6A4 P31645 9/20 0.48
SLC6A3 Q01959 6/20 0.47
SLC6A2 P23975 1/20 0.47
EPHX2 P34913 1/20 0.45
LGMN Q99538 9/20 0.43

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
SCHEMBL18742598 0.94 OPRL1 (0.48) OPRL1SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL1465617 0.85 KMT2A (0.48) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL25010550 0.83 EPHX2 (0.45) OPRL1SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL14894428 0.82 OPRL1 (0.45) OPRL1SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL21937842 0.81 HDAC3 (0.47) OPRL1EPHX2
SCHEMBL21326268 0.81 SLC6A4 (0.44) OPRL1SLC6A4SLC6A3SLC6A2LGMN
SCHEMBL21326271 0.81 SLC6A4 (0.44) OPRL1SLC6A4SLC6A3SLC6A2LGMN
SCHEMBL4440466 0.81 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2EPHX2LGMN
SCHEMBL23578078 0.81 SLC6A4 (0.46) OPRL1SLC6A4SLC6A3SLC6A2LGMN
SCHEMBL27925689 0.80 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2EPHX2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP disclosed
EP-1861359-A1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN Pfizer, Inc. (US) 2007-12-05 EP disclosed
WO-2006097817-A1 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC. (JP) 2006-09-21 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R OPRL1 11/4885SLC6A4 19/4885SLC6A3 300/4885

“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.