SCHEMBL185599

SCHEMBL185599

CN(c1ccc(CN)cc1)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PNMT P11086 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CSNK2A1 P68400 3/20 0.38
NISCH Q9Y2I1 1/20 0.38
CHKA P35790 5/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
KLKB1 P03952 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL23720055 0.80 CYP3A4 (0.45) AOC3NISCHCHKA
SCHEMBL27502154 0.79 ABAT (0.41) LOXL2TAAR1CHKAKLKB1
SCHEMBL29556362 0.79 POLB (0.44) AOC3TAAR1CHKA
SCHEMBL4572683 0.79 POLB (0.44) AOC3TAAR1CHKA
SCHEMBL28597260 0.77 POLB (0.43) AOC3TAAR1CHKA
SCHEMBL185872 0.77 LOXL2 (0.54) AOC3LOXL2TAAR1CHKA
SCHEMBL955403 0.73 LMNA (0.33) AOC3TAAR1NISCHCHKA
SCHEMBL28547168 0.71 MCOLN3 (0.49) PNMTCHKA
SCHEMBL23702621 0.70 KMT2A (0.50)
SCHEMBL27502153 0.68 ABAT (0.67) LOXL2TAAR1KLKB1

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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AOC3 2261/4885LOXL2 4199/4885PNMT 3039/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AOC3 2261/4885LOXL2 4199/4885PNMT 3039/4885

“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.