SCHEMBL493150

SCHEMBL493150

CC(=NO)C1CCC(C(c2cccc(F)c2)N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.38
OPRM1 P35372 3/20 0.37
SLC6A4 P31645 2/20 0.37
KDR P35968 1/20 0.37
SLC6A3 Q01959 1/20 0.37
AOC3 Q16853 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 1/20 0.33
TACR3 P29371 1/20 0.32
HTR6 P50406 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
SCHEMBL646853 0.84 MEN1 (0.37) SLC6A4AOC3SLC6A2
SCHEMBL492937 0.84 OPRM1 (0.33) OPRM1SLC6A4KDRSLC6A3
SCHEMBL1326919 0.81 SLC6A4 (0.45) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL1328170 0.81 OPRL1 (0.43) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL493723 0.80 OPRL1 (0.38) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL493724 0.80 OPRL1 (0.38) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL2305874 0.80 OPRL1 (0.38) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL493705 0.80 OPRL1 (0.41) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL492779 0.79 AOC3 (0.43) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL3587092 0.78 OPRL1 (0.49) OPRL1OPRM1SLC6A4KDRSLC6A3

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 9 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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD OPRL1 4/4885OPRM1 20/4885SLC6A4 2704/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRL1 238/4885OPRM1 57/4885SLC6A4 1517/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A OPRL1 26/4885OPRM1 91/4885SLC6A4 349/4885

“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.