SCHEMBL4176734

SCHEMBL4176734

CC1CN(Cc2ccccc2)CC1(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
OPRK1 P41145 2/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
LMNA P02545 2/20 0.44
FUCA1 P04066 2/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1716774 1.00 OPRM1 (0.50) OPRM1OPRK1GAAMEN1KMT2A
SCHEMBL4183999 1.00 OPRM1 (0.50) OPRM1OPRK1GAAMEN1KMT2A
SCHEMBL14310852 0.90 OPRM1 (0.49) OPRM1OPRK1GAAMEN1KMT2A
SCHEMBL19779330 0.86 OPRM1 (0.47) OPRM1OPRK1GAAMEN1KMT2A
SCHEMBL19779328 0.86 OPRM1 (0.47) OPRM1OPRK1GAAMEN1KMT2A
SCHEMBL10306091 0.86 OPRM1 (0.47) OPRM1OPRK1GAAMEN1KMT2A
SCHEMBL3976439 0.86 OPRM1 (0.47) OPRM1OPRK1GAAMEN1KMT2A
SCHEMBL28087362 0.86 OPRM1 (0.57) OPRM1OPRK1MEN1KMT2ATSHR
SCHEMBL18668648 0.85 S1PR5 (0.49) OPRM1OPRK1GAAMEN1KMT2A
SCHEMBL3974425 0.84 CYP3A4 (0.49) OPRM1OPRK1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 US disclosed
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
WO-2015160636-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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 (3 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI OPRM1 3672/4885OPRK1 4309/4885GAA 210/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 OPRM1 765/4885OPRK1 263/4885GAA 487/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 OPRM1 821/4885OPRK1 304/4885GAA 1156/4885

“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.