SCHEMBL9908052

SCHEMBL9908052

CCCCOc1ccc([C@@H](O)[C@H](C)N)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.44
ADRB3 P13945 5/20 0.43
CYP19A1 P11511 3/20 0.42
ESRRA P11474 1/20 0.42
PTPN1 P18031 1/20 0.42
SLC2A1 P11166 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14620533 0.82 ADRB3 (0.46) TRPV1ADRB3CYP19A1NPC1RAB9A
SCHEMBL11918930 0.82 ADRB3 (0.46) TRPV1ADRB3CYP19A1NPC1RAB9A
SCHEMBL4816663 0.82 CYP19A1 (0.48) TRPV1ADRB3CYP19A1ESRRANPC1
SCHEMBL9281429 0.76 ADRB3 (0.66) ADRB3
SCHEMBL9906203 0.76 ADRB3 (0.48) ADRB3NPC1
SCHEMBL1577102 0.76 ADRB3 (0.66) ADRB3
SCHEMBL9281433 0.76 ADRB3 (0.66) ADRB3
SCHEMBL11918925 0.74 CREBBP (0.50) CYP19A1ESRRAPTPN1NPC1RAB9A
SCHEMBL11915675 0.73 SMN1; SMN2 (0.56) CYP19A1ESRRAPTPN1SLC2A1NPC1
SCHEMBL8604748 0.73 CYP19A1 (0.51) TRPV1ADRB3CYP19A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198330-B2 Therapeutic or prophylactic agent for diabetes, obesity, dyslipidemia or metabolic syndrome comprising benzylamine derivative or pharmaceutically acceptable acid addition salt thereof TORAY INDUSTRIES, INC. (JP) 2012-06-12 US disclosed
US-20110124733-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR DIABETES, OBESITY, DYSLIPIDEMIA OR METABOLIC SYNDROME COMPRISING BENZYLAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID TORAY INDUSTRIES, INC. (JP) 2011-05-26 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-20110124733-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR DIABETES, OBESITY, DYSLIPIDEMIA OR METABOLIC SYNDROME COMPRISING BENZYLAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID GPR119, LIPC, LIPA TRPV1 843/4885ADRB3 64/4885CYP19A1 828/4885

“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.