SCHEMBL13229486

SCHEMBL13229486

FC(F)(F)c1ccccc1-c1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK9 P50750 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
TRPA1 O75762 3/20 0.37
CLK4 Q9HAZ1 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL13229463 0.87 HRH3 (0.43) TRPV1USP2ALDH1A1MEN1KMT2A
SCHEMBL13229394 0.84 SLC22A12 (0.40) CYP1A2CYP2C19CYP3A4TSHRUSP2
SCHEMBL13229475 0.84 CDK9 (0.41) TRPV1CYP1A2CYP2C19CYP3A4TSHR
SCHEMBL13229489 0.84 HRH3 (0.43) TRPV1MAPK1CDK9PRMT5WDR77
SCHEMBL13229487 0.83 HRH3 (0.45) TRPV1CDK9PRMT5WDR77
SCHEMBL13229357 0.82 HDAC1 (0.43) TRPV1USP2ALDH1A1MEN1KMT2A
SCHEMBL13229407 0.82 HDAC1 (0.43) TRPV1USP2ALDH1A1MEN1KMT2A
SCHEMBL13229399 0.82 TRPA1 (0.37) ALDH1A1CDK9TRPA1TAAR1
SCHEMBL13262003 0.82 MAP4K1 (0.35) TRPV1USP2ALDH1A1MEN1KMT2A
SCHEMBL13229410 0.82 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6ALDH1A1MEN1

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 TRPV1 281/4885CYP1A2 365/4885CYP2C19 1165/4885

“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.