SCHEMBL13229487

SCHEMBL13229487

FC(F)(F)c1cccc(-c2ccc3c(c2)N(Cc2c[nH]cn2)CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
ASIC3 Q9UHC3 1/20 0.42
CDK9 P50750 1/20 0.40
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
RORC P51449 1/20 0.37
GRIN1 Q05586 6/20 0.37
GRIN2B Q13224 6/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CNR2 P34972 1/20 0.36
SLC6A7 Q99884 1/20 0.36
S1PR5 Q9H228 1/20 0.35
CXCR2 P25025 1/20 0.35

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
SCHEMBL13229489 0.90 HRH3 (0.43) HRH3CDK9TRPV1PRMT5WDR77
SCHEMBL3528547 0.88 TRPV1 (0.40) HRH3CDK9TRPV1CNR2
SCHEMBL13229466 0.87 TRPV1 (0.44) HRH3CDK9PARP10PARP11TRPV1
SCHEMBL13229405 0.87 HDAC1 (0.41) HRH3CDK9TRPV1CYP11B1CYP11B2
SCHEMBL13229407 0.87 HDAC1 (0.43) HRH3CDK9TRPV1
SCHEMBL13229357 0.87 HDAC1 (0.43) HRH3CDK9TRPV1
SCHEMBL13229400 0.86 HRH3 (0.47) HRH3CDK9CYP11B1CYP11B2RORC
SCHEMBL13229479 0.85 CDK9 (0.38) CDK9PARP10PARP11TRPV1CNR2
SCHEMBL14117490 0.85 TNIK (0.37) CDK9TRPV1CYP11B1CYP11B2
SCHEMBL13229395 0.85 SLC22A12 (0.39) CDK9PARP10PARP11TRPV1GRIN1

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 448/4885ASIC3 938/4885CDK9 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.