Sugi Predict

Sugi Predict / Compounds / SCHEMBL4750283

SCHEMBL4750283

SCHEMBL4750283

C[C@H](c1ccccc1)N1C[C@@]2(Cl)CCC[C@@]2(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 3/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CTSK P43235 3/20 0.35
▸ CTSS P25774 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL2670239 1.00 UTS2R (0.35) UTS2ROPRL1OPRM1OPRD1OPRK1
SCHEMBL4749177 0.86 UTS2R (0.36) UTS2ROPRL1OPRM1OPRD1OPRK1
SCHEMBL2670614 0.85 GABRB1 (0.36) UTS2ROPRL1OPRM1OPRD1OPRK1
SCHEMBL4748443 0.81 OPRL1 (0.37) UTS2ROPRL1OPRM1OPRD1OPRK1
SCHEMBL2670195 0.81 OPRL1 (0.37) UTS2ROPRL1OPRM1OPRD1OPRK1
SCHEMBL2670061 0.81 KMT2A (0.37) UTS2ROPRL1CTSKCTSSKMT2A
SCHEMBL2670298 0.81 OPRL1 (0.36) UTS2ROPRL1OPRM1OPRD1OPRK1
SCHEMBL4748388 0.81 OPRL1 (0.36) UTS2ROPRL1OPRM1OPRD1OPRK1
SCHEMBL10027443 0.80 CTSK (0.37) UTS2ROPRL1OPRM1OPRD1OPRK1
SCHEMBL2670186 0.78 CTSK (0.36) UTS2ROPRL1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
EP-2097400-B1 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-07-03 — — EP disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US disclosed
WO-2008082009-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-07-10 — — 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 (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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 UTS2R 2355/4885OPRL1 782/4885OPRM1 804/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 UTS2R 2355/4885OPRL1 782/4885OPRM1 804/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 UTS2R 2355/4885OPRL1 782/4885OPRM1 804/4885

“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.