SCHEMBL7973223

SCHEMBL7973223

O=C1N(c2ccccc2)CCN1c1nc2ccc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.62
KCNH2 Q12809 3/20 0.62
ADRA1A P35348 2/20 0.62
ALKBH3 Q96Q83 1/20 0.50
NPBWR1 P48145 1/20 0.50
EGLN1 Q9GZT9 1/20 0.48
DGAT1 O75907 2/20 0.48

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
SCHEMBL7962507 0.84 NPY5R (0.60) NPY5RKCNH2ADRA1AALKBH3EGLN1
SCHEMBL7969172 0.82 NPC1 (0.53) NPY5RKCNH2ADRA1AALKBH3EGLN1
SCHEMBL2421049 0.81 NPY5R (0.63) NPY5RKCNH2ADRA1ANPBWR1DGAT1
SCHEMBL10140665 0.80 MEN1 (0.45) NPY5RKCNH2ADRA1AALKBH3
SCHEMBL7962503 0.79 NPY5R (0.52) NPY5RKCNH2ADRA1A
SCHEMBL7970001 0.79 GFER (0.56) NPY5RADRA1AEGLN1
SCHEMBL7973969 0.78 CHEK2 (0.57) NPY5R
SCHEMBL7976233 0.77 PRSS1 (0.52) NPY5R
SCHEMBL7973178 0.76 NPY5R (0.56) NPY5R
SCHEMBL3791087 0.75 NPC1 (0.47) NPY5RKCNH2ADRA1AALKBH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 NPY5R 652/4885KCNH2 2017/4885ADRA1A 4320/4885

“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.