SCHEMBL644438

SCHEMBL644438

CN(C)C(c1ccc(Cl)cc1)C1CCC(C(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.47
GAA P10253 4/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WDR91 A4D1P6 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AHR P35869 1/20 0.35
HTT P42858 1/20 0.35
BRD4 O60885 1/20 0.35
SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL644291 0.86 LMNA (0.40) SMN1; SMN2KMT2AALDH1A1L3MBTL1AOC3
SCHEMBL644949 0.85 TDP1 (0.46) SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL1327427 0.80 BCL2A1 (0.43) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL1326713 0.80 BCL2A1 (0.46) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL493030 0.79 BCL2A1 (0.41) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL4091462 0.78 BCL2A1 (0.44) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL3582113 0.77 BCL2A1 (0.45) BCL2A1GAAHPGDSMN1; SMN2
SCHEMBL1326749 0.77 BCL2A1 (0.43) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL493821 0.77 BCL2A1 (0.40) BCL2A1AOC3
SCHEMBL493597 0.77 BCL2A1 (0.46) 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 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-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP 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-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 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.