SCHEMBL12359503

SCHEMBL12359503

OC(c1ccc2c(c1)N(Cc1c[nH]cn1)CC2)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.34
BACE1 P56817 1/20 0.33
CDK9 P50750 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30
APP P05067 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL3528547 0.82 TRPV1 (0.40) TRPV1CDK9TAAR1
SCHEMBL12359744 0.79 CHRM2 (0.40) TRPV1TAAR1CHRM2CHRM3
SCHEMBL3531520 0.79 CHRM2 (0.45) TRPV1CDK9TAAR1CHRM2CHRM3
SCHEMBL13229489 0.78 HRH3 (0.43) TRPV1CDK9
SCHEMBL3530913 0.77 HTR2A (0.48) TRPV1TAAR1CHRM2CHRM3
SCHEMBL3526848 0.77 HDAC1 (0.40) TRPV1CDK9TAAR1
SCHEMBL13229487 0.75 HRH3 (0.45) TRPV1CDK9
SCHEMBL13229483 0.75 HRH3 (0.39) TRPV1CDK9BRD4CHRM2CHRM3
SCHEMBL12359557 0.75 ACHE (0.41) CDK9
SCHEMBL12359489 0.75 SLC22A12 (0.37) TRPV1TAAR1BRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 US disclosed
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 US disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 US disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
WO-2007024944-A1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 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 (2 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-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A TRPV1 177/4885BACE1 1101/4885CDK9 4156/4885
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A TRPV1 177/4885BACE1 1101/4885CDK9 4156/4885

“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.