SCHEMBL3824513

SCHEMBL3824513

Cc1ccc(C2(O)CCCC2CN2CCCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
HTR2C P28335 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
CHRNA7 P36544 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
HRH1 P35367 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36

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
SCHEMBL3990437 0.99 KMT2A (0.44) KMT2AHTR2COPRM1OPRL1CHRNA7
SCHEMBL3820386 0.96 KMT2A (0.43) KMT2AHTR2COPRM1OPRL1CHRNA7
SCHEMBL3990504 0.96 KMT2A (0.43) KMT2AHTR2COPRM1OPRL1CHRNA7
SCHEMBL3819910 0.96 KMT2A (0.43) KMT2AHTR2COPRM1OPRL1CHRNA7
SCHEMBL3990516 0.96 KMT2A (0.43) KMT2AHTR2COPRM1OPRL1CHRNA7
SCHEMBL3992857 0.94 KMT2A (0.43) KMT2AHTR2COPRM1OPRL1SLC6A3
SCHEMBL3443526 0.87 KMT2A (0.40) KMT2AHTR2COPRM1OPRL1SLC6A3
SCHEMBL3822308 0.86 OPRM1 (0.40) KMT2AOPRM1OPRL1SLC6A3SIGMAR1
SCHEMBL3821321 0.86 OPRM1 (0.56) KMT2AOPRM1OPRL1HRH3SIGMAR1
SCHEMBL3825485 0.86 NPY1R (0.41) KMT2AOPRM1OPRL1SIGMAR1OPRD1

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
EP-1496890-B1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2009-09-02 EP claimed
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
EP-1496890-B1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2009-09-02 EP disclosed
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 2324/4885HTR2C 217/4885OPRM1 36/4885

“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.