SCHEMBL185604

SCHEMBL185604

CC(N)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
TGFBR1 P36897 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 5/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
MAPK10 P53779 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
SCHEMBL185873 0.88 SCN1A (0.34) CYP1A2CYP2D6CYP2C19ALDH1A1CNR2
SCHEMBL185791 0.85 OPRM1 (0.38) CNR2
SCHEMBL27870327 0.85 RAB9A (0.38) RAB9ACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL27870326 0.85 RAB9A (0.43) RAB9ACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL185437 0.82 ALDH1A1 (0.45) CYP1A2CYP2D6CYP2C19ALDH1A1HTT
SCHEMBL185783 0.81 RAB9A (0.38) RAB9ACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL185410 0.80 RAB9A (0.39) RAB9ACYP1A2CYP2D6CYP2C19NPC1
Trifluoroacetic Acid SCHEMBL185819 0.79 MPO (0.36) CNR2MAPK10DHODH
SCHEMBL28794901 0.78 RAB9A (0.39) RAB9ACYP1A2CYP2D6CYP2C19NPC1
Trifluoroacetic Acid SCHEMBL2806920 0.76 CNR2 (0.36) RAB9ACYP1A2CYP2D6CYP2C19NPC1

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 RAB9A 347/4885CYP1A2 892/4885CYP2D6 382/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 RAB9A 347/4885CYP1A2 892/4885CYP2D6 382/4885

“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.