SCHEMBL645119

SCHEMBL645119

CC(=NO)C1CCC(C(CCc2ccccc2)N(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B2 P37059 1/20 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
SCHEMBL1327655 0.81 SLC18A3 (0.41) SLC18A3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL1327350 0.81 KMT2A (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL493236 0.80 KDM4E (0.36) SLC18A3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL2306988 0.80 KDM4E (0.36) SLC18A3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL493235 0.80 KDM4E (0.36) SLC18A3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL493503 0.79 SLC18A3 (0.35) SLC18A3KDM4EALDH1A1TDP1HTT
SCHEMBL1327183 0.79 CHRNB2 (0.39) SLC18A3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL645117 0.79 OPRM1 (0.34) SLC18A3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL645118 0.79 OPRM1 (0.34) SLC18A3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL493638 0.78 AOC3 (0.39) SLC18A3KDM4E

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 6 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-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 SLC18A3 1506/4885KDM4E 940/4885CHRNB2 1571/4885

“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.