SCHEMBL493030

SCHEMBL493030

CC(=NO)C1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.41
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 1/20 0.32
BRD4 O60885 1/20 0.31
SLC6A4 P31645 2/20 0.31
CYP1A2 P05177 1/20 0.31
SLC6A2 P23975 1/20 0.30

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 0.86 MEN1 (0.37) GAAAOC3SLC6A4CYP1A2SLC6A2
SCHEMBL492937 0.86 OPRM1 (0.33) SLC6A4
SCHEMBL1326713 0.79 BCL2A1 (0.46) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL644438 0.79 BCL2A1 (0.47) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL1326784 0.78 BCL2A1 (0.43) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL492740 0.78 BCL2A1 (0.43) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL2307385 0.78 BCL2A1 (0.43) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL492739 0.78 BCL2A1 (0.43) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL493150 0.76 OPRL1 (0.38) AOC3SLC6A4SLC6A2
SCHEMBL1327427 0.76 BCL2A1 (0.43) BCL2A1GAAHPGDSMN1; SMN2AOC3

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 8 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
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 BCL2A1 3439/4885GAA 445/4885HPGD 213/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R BCL2A1 1972/4885GAA 448/4885HPGD 718/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A BCL2A1 2553/4885GAA 260/4885HPGD 1116/4885

“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.