Sugi Predict

Sugi Predict / Compounds / SCHEMBL4750274

SCHEMBL4750274

SCHEMBL4750274

CCCC[C@]1(C(=O)OC(C)(C)C)CC(=O)N([C@H](C)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ CTSK P43235 2/20 0.37
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ P4HB P07237 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ HSD11B1 P28845 2/20 0.32

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
SCHEMBL4748878 0.94 KMT2A (0.41) KMT2ACTSKMAPK1MAPTP4HB
SCHEMBL2670426 0.92 CYP4F2 (0.40) KMT2ACYP4F2CYP4A11CYP3A4CYP2C9
SCHEMBL4748042 0.91 KMT2A (0.39) KMT2ACTSKCYP4F2CYP4A11MAPK1
SCHEMBL2670448 0.89 KMT2A (0.41) KMT2ACYP4F2CYP4A11MAPK1MAPT
SCHEMBL14319760 0.89 KMT2A (0.43) KMT2ACTSKMAPK1MAPTCPB2
SCHEMBL2670528 0.87 KMT2A (0.43) KMT2AMAPK1MAPTCYP3A4CYP2C9
SCHEMBL2670487 0.87 KMT2A (0.39) KMT2AMAPK1MAPTP4HBCYP3A4
SCHEMBL2670240 0.86 KMT2A (0.38) KMT2AOPRL1MAPK1MAPTCPB2
SCHEMBL4749764 0.86 KMT2A (0.38) KMT2ACTSKMAPK1MAPTP4HB
SCHEMBL2670332 0.86 KMT2A (0.35) KMT2ACYP4F2CYP4A11MAPK1MAPT

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 3 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
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

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 KMT2A 2847/4885CTSK 4157/4885OPRM1 804/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885CTSK 4157/4885OPRM1 804/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885CTSK 4157/4885OPRM1 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.