SCHEMBL492937

SCHEMBL492937

CC(=NO)C1CCC(C(c2ccccc2)N(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDR P35968 1/20 0.33
SLC6A3 Q01959 1/20 0.33
IDO1 P14902 2/20 0.33
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL493030 0.86 BCL2A1 (0.41) SLC6A4
SCHEMBL646853 0.86 MEN1 (0.37) ALDH1A1SLC6A4
SCHEMBL493150 0.84 OPRL1 (0.38) OPRM1SLC6A4KDRSLC6A3
SCHEMBL493283 0.78 OPRM1 (0.35) OPRM1KDM4EALDH1A1
SCHEMBL1327227 0.78 OPRM1 (0.41) OPRM1KDM4EALDH1A1SLC6A4KDR
SCHEMBL644949 0.78 TDP1 (0.46) KDM4EALDH1A1IDO1TSHRRECQL
SCHEMBL2309881 0.78 RECQL (0.37) OPRM1ALDH1A1TSHRRECQL
SCHEMBL493479 0.77 OPRM1 (0.33) OPRM1KDM4EALDH1A1SLC6A4KDR
SCHEMBL493478 0.77 OPRM1 (0.33) OPRM1KDM4EALDH1A1SLC6A4KDR
SCHEMBL492732 0.76 ESR2 (0.36) OPRM1KDM4EALDH1A1SLC6A4KDR

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
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 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 (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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRM1 57/4885KDM4E 940/4885ALDH1A1 1333/4885

“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.