SCHEMBL13229463

SCHEMBL13229463

Fc1ccccc1-c1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
TRPV1 Q8NER1 2/20 0.38
CDK9 P50750 6/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CDK4 P11802 1/20 0.34
ALOX15 P16050 1/20 0.34
CCND1 P24385 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PRPS1 P60891 1/20 0.33

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
SCHEMBL13229475 0.88 CDK9 (0.41) TRPV1CDK9TRPM5ALDH1A1USP2
SCHEMBL13229394 0.88 SLC22A12 (0.40) CDK9TAAR1TRPM5ALDH1A1MEN1
SCHEMBL13229486 0.87 TRPV1 (0.45) TRPV1CDK9TAAR1PRMT5WDR77
SCHEMBL13229407 0.86 HDAC1 (0.43) HRH3TRPV1CDK9TAAR1TRPM5
SCHEMBL13229357 0.86 HDAC1 (0.43) HRH3TRPV1CDK9TAAR1TRPM5
SCHEMBL13229091 0.86 CDK9 (0.36) CDK9TAAR1TRPM5PRMT5WDR77
SCHEMBL13229399 0.86 TRPA1 (0.37) CDK9TAAR1TRPM5ALDH1A1TRPA1
SCHEMBL13262003 0.85 MAP4K1 (0.35) TRPV1CDK9TAAR1TRPM5ALDH1A1
SCHEMBL13229410 0.85 CYP1A2 (0.40) CDK9DRD2TAAR1PRMT5WDR77
SCHEMBL13229483 0.85 HRH3 (0.39) HRH3TRPV1CDK9

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-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 US disclosed
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 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-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRB3 HRH3 448/4885TRPV1 281/4885CDK9 4510/4885

“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.