SCHEMBL13229477

SCHEMBL13229477

Cc1cccc(C)c1-c1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.43
REN P00797 3/20 0.38
CDK9 P50750 8/20 0.36
TRPM5 Q9NZQ8 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SRC P12931 2/20 0.34
BRD4 O60885 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP3A4 P08684 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 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
SCHEMBL13229308 0.89 REN (0.41) SLC22A12RENCDK9TRPM5TAAR1
SCHEMBL13229394 0.88 SLC22A12 (0.40) SLC22A12CDK9TRPM5TAAR1BRD4
SCHEMBL13229072 0.88 REN (0.36) SLC22A12RENCDK9TRPM5TAAR1
SCHEMBL13229395 0.87 SLC22A12 (0.39) SLC22A12CDK9TRPM5TAAR1BRD4
SCHEMBL13229319 0.85 REN (0.38) SLC22A12RENCDK9CYP3A4
SCHEMBL13229397 0.85 CDK9 (0.40) SLC22A12RENCDK9TRPM5TAAR1
SCHEMBL14117490 0.84 TNIK (0.37) SLC22A12CDK9TRPM5TAAR1TRPV1
SCHEMBL13229405 0.84 HDAC1 (0.41) SLC22A12CDK9TRPM5TAAR1TRPV1
SCHEMBL13229092 0.84 PRKCQ (0.39) SLC22A12RENCDK9TRPM5BRD4
SCHEMBL13229407 0.84 HDAC1 (0.43) SLC22A12CDK9TRPM5TAAR1TRPV1

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 SLC22A12 2838/4885REN 117/4885CDK9 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.