SCHEMBL3990504

SCHEMBL3990504

Cc1ccc(C2(O)CCCCCC2CN2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
OPRM1 P35372 8/20 0.42
OPRL1 P41146 3/20 0.42
HTR2C P28335 1/20 0.40
SLC6A9 P48067 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
MEN1 O00255 1/20 0.39
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRNA7 P36544 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SLC22A1 O15245 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL3819910 1.00 KMT2A (0.43) KMT2AOPRM1OPRL1HTR2CSLC6A9
SCHEMBL3990516 1.00 KMT2A (0.43) KMT2AOPRM1OPRL1HTR2CSLC6A9
SCHEMBL3820386 1.00 KMT2A (0.43) KMT2AOPRM1OPRL1HTR2CSLC6A9
SCHEMBL3992857 0.99 KMT2A (0.43) KMT2AOPRM1OPRL1HTR2CSLC6A9
SCHEMBL3824513 0.96 KMT2A (0.43) KMT2AOPRM1OPRL1HTR2COPRD1
SCHEMBL3990437 0.94 KMT2A (0.44) KMT2AOPRM1OPRL1HTR2CSLC6A9
SCHEMBL3443526 0.91 KMT2A (0.40) KMT2AOPRM1OPRL1HTR2CSLC6A9
SCHEMBL3446137 0.90 KMT2A (0.41) KMT2AOPRM1OPRL1HTR2CSLC6A9
SCHEMBL3992418 0.86 OPRM1 (0.42) KMT2AOPRM1OPRL1SLC6A9SLC6A5
SCHEMBL3991452 0.86 OPRM1 (0.58) KMT2AOPRM1OPRL1OPRD1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507816-B2 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2009-03-24 US claimed
US-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2005-01-27 US claimed
US-7507816-B2 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2009-03-24 US disclosed
US-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2005-01-27 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-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols ADRB1, ADRB2, ADRA1D KMT2A 2324/4885OPRM1 36/4885OPRL1 23/4885

“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.