SCHEMBL185509

SCHEMBL185509

CC(C)Oc1ccc(Nc2ccc(CN)cc2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
MAOB P27338 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
KLKB1 P03952 2/20 0.37
GLA P06280 1/20 0.37
ADRA2A P08913 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CSNK2A1 P68400 2/20 0.36
PTK2 Q05397 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
BPTF Q12830 1/20 0.36
ACP1 P24666 1/20 0.35
POLB P06746 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
SCHEMBL672517 0.86 KLKB1 (0.44) MAOBMAPTKLKB1GAAPOLB
SCHEMBL185836 0.84 KLKB1 (0.46) MAOBMAPTKLKB1ALDH1A1GAA
SCHEMBL185482 0.81 MAOB (0.40) MAOBKLKB1
SCHEMBL202821 0.80 AR (0.42) GAAACP1
SCHEMBL2809872 0.80 TP53 (0.40) P2RX3MAPTTP53ALDH1A1POLB
SCHEMBL2809865 0.78 TP53 (0.39) P2RX3MAPTTP53GLAALDH1A1
SCHEMBL186185 0.77 LOXL2 (0.44) MAOBMAPTALDH1A1GAABPTF
SCHEMBL185324 0.76 KDM1A (0.40) MAOBMAPTPTK2ALDH1A1GAA
SCHEMBL186374 0.76 RAB9A (0.43) MAPTTP53KLKB1GAABPTF
SCHEMBL185708 0.75 STK10 (0.37) MAOBMAPTALDH1A1GAABPTF

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 7 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

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 P2RX3 23/4885MAOB 1822/4885MAPT 4326/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 P2RX3 23/4885MAOB 1822/4885MAPT 4326/4885

“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.