SCHEMBL13229365

SCHEMBL13229365

c1cc(-c2ccc3c(c2)N(Cc2c[nH]cn2)CC3)ccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
CDK9 P50750 7/20 0.38
TAAR1 Q96RJ0 1/20 0.36
DRD2 P14416 2/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CDC7 O00311 1/20 0.33
LSS P48449 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL13229407 0.89 HDAC1 (0.43) HRH3CDK9TAAR1HDAC1HDAC6
SCHEMBL13229357 0.89 HDAC1 (0.43) HRH3CDK9TAAR1HDAC1HDAC6
SCHEMBL13229489 0.88 HRH3 (0.43) HRH3CDK9HDAC1HDAC6
SCHEMBL13229397 0.88 CDK9 (0.40) CDK9TAAR1HDAC1HDAC6SLC22A12
SCHEMBL13229483 0.88 HRH3 (0.39) HRH3CDK9HDAC1HDAC6
SCHEMBL13229480 0.88 TRPV1 (0.41) CDK9TAAR1HDAC1HDAC6TRPM5
SCHEMBL13229442 0.87 CDK9 (0.36) CDK9TAAR1HDAC1HDAC6TRPM5
SCHEMBL13229405 0.87 HDAC1 (0.41) HRH3CDK9TAAR1HDAC1HDAC6
SCHEMBL13229067 0.87 CDK9 (0.39) CDK9TAAR1DRD2TRPM5
SCHEMBL13229066 0.86 CYP11B2 (0.44) CDK9

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 5 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
WO-2008100456-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO 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 448/4885CDK9 4510/4885TAAR1 86/4885

“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.