SCHEMBL185783

SCHEMBL185783

CC(N)c1ncc(Nc2ccc(Cl)cc2C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
PAX8 Q06710 1/20 0.38
TGFBR1 P36897 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK10 P53779 2/20 0.36
IDO1 P14902 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34

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
SCHEMBL185727 0.86 OPRM1 (0.37) MAPK10KDM4ES1PR3SCN1ASCN5A
SCHEMBL185604 0.81 RAB9A (0.38) RAB9AHTTALDH1A1NPC1PAX8
SCHEMBL185329 0.79 RAB9A (0.40) RAB9ANPC1TGFBR1CYP1A2CYP2D6
SCHEMBL185709 0.79 STK17A (0.38) RAB9ACYP1A2CYP2D6CYP2C19MAPK10
Hydrochloric Acid SCHEMBL15456151 0.78 STK17A (0.37) RAB9ACYP1A2CYP2D6CYP2C19MAPK10
Hydrochloric Acid SCHEMBL2806736 0.78 STK17A (0.37) RAB9ACYP1A2CYP2D6CYP2C19MAPK10
Hydrochloric Acid SCHEMBL2807566 0.75 PTGS2 (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19MAPK10
SCHEMBL186317 0.73 DHODH (0.38) RAB9AHTTALDH1A1NPC1PAX8
SCHEMBL185820 0.72 RAB9A (0.39) RAB9AHTTALDH1A1NPC1PAX8
SCHEMBL13159685 0.71 DHFR (0.34) EGFR

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 10 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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US 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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 RAB9A 347/4885HTT 3537/4885ALDH1A1 1000/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 RAB9A 347/4885HTT 3537/4885ALDH1A1 1000/4885

“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.