SCHEMBL185872

SCHEMBL185872

CN(c1ccccc1)c1ccc(CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.54
TAAR1 Q96RJ0 1/20 0.52
CHKA P35790 4/20 0.52
NR3C2 P08235 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAOB P27338 1/20 0.41
AOC3 Q16853 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL439585 0.82 LOXL2 (0.59) LOXL2TAAR1HRH3MAOBALDH1A1
SCHEMBL5937231 0.82 CHKA (0.55) TAAR1CHKANR3C2MAOBAOC3
SCHEMBL439840 0.82 LOXL2 (0.59) LOXL2TAAR1HRH3MAOBALDH1A1
SCHEMBL27502153 0.81 ABAT (0.67) LOXL2TAAR1HRH3KEAP1NFE2L2
SCHEMBL7155149 0.81 NR3C2 (0.56) CHKANR3C2ALDH1A1MEN1S1PR4
SCHEMBL18873551 0.80 TSHR (0.56) TAAR1CHKANR3C2AOC3ALDH1A1
SCHEMBL13462904 0.80 CHKA (0.58) CHKANR3C2ALDH1A1MEN1S1PR4
SCHEMBL186402 0.79 LOXL2 (0.50) LOXL2TAAR1NR3C2HRH3MAOB
SCHEMBL16538470 0.79 LOXL2 (0.58) LOXL2CHKAHRH3KEAP1NFE2L2
Benzylamine SCHEMBL27474307 0.79 LOXL2 (0.78) LOXL2TAAR1HRH3MAOBAOC3

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
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 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 LOXL2 4199/4885TAAR1 851/4885CHKA 3258/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LOXL2 4199/4885TAAR1 851/4885CHKA 3258/4885

“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.