SCHEMBL4187954

SCHEMBL4187954

C[C@H](c1ccccc1)N1CC(O)[C@@](C)(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 1/20 0.41
MC4R P32245 1/20 0.41
HSD11B1 P28845 1/20 0.39
DRD4 P21917 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
PIK3CD O00329 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4182073 1.00 CYP2D6 (0.45) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL3976441 0.86 CYP2D6 (0.45) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL4188990 0.84 CYP2D6 (0.44) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL3977166 0.83 KMT2A (0.39) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL13764777 0.83 KMT2A (0.39) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL3982693 0.83 KMT2A (0.39) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL3979332 0.82 CYP2D6 (0.41) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL8775479 0.78 CYP2D6 (0.49) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL374064 0.78 CYP2D6 (0.49) CYP2D6ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL48088 0.74 CYP2D6 (0.61) CYP2D6ALDH1A1KMT2AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 CYP2D6 499/4885ALDH1A1 3018/4885KMT2A 3317/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 CYP2D6 1076/4885ALDH1A1 4075/4885KMT2A 3178/4885

“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.