SCHEMBL186402

SCHEMBL186402

CCN(c1ccccc1)c1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
NR3C2 P08235 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
CNR2 P34972 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7149333 0.85 NR3C2 (0.60) NR3C2CNR2TSHRMAPTCRHBP
SCHEMBL27836690 0.83 TP53 (0.54) NR3C2CNR2TSHRMAPTCRHBP
SCHEMBL439840 0.83 LOXL2 (0.59) LOXL2TAAR1CNR2TSHRMAPT
SCHEMBL439585 0.83 LOXL2 (0.59) LOXL2TAAR1CNR2TSHRMAPT
SCHEMBL409370 0.82 NR3C2 (0.57) NR3C2TSHRMAPTCRHBPCRHR2
SCHEMBL6567347 0.82 NR3C2 (0.57) NR3C2TSHRMAPTCRHBPCRHR2
SCHEMBL27504308 0.82 ABAT (0.61) TAAR1HRH3ALDH1A1KDM4ECYP2C19
SCHEMBL16408145 0.81 NR3C2 (0.56) NR3C2CNR2TSHRMAPTCRHBP
Iodide SCHEMBL31634397 0.80 NR3C2 (0.55) NR3C2TSHRMAPTCRHBPCRHR2
Bromide SCHEMBL6737911 0.80 NR3C2 (0.55) NR3C2TSHRMAPTCRHBPCRHR2

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
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
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 LOXL2 4199/4885NR3C2 465/4885TAAR1 851/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LOXL2 4199/4885NR3C2 465/4885TAAR1 851/4885

“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.