SCHEMBL2805102

SCHEMBL2805102

CNc1cncc(C(=O)NC2(C(=O)NCc3ncc(Nc4ccc(Cl)cc4C(F)(F)F)cc3F)CCOC2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.35
BDKRB1 P46663 1/20 0.34
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
NTRK1 P04629 1/20 0.32
ALPL P05186 1/20 0.32
PDE2A O00408 1/20 0.32
GNRHR P30968 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BRAF P15056 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
DDR1 Q08345 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL186328 1.00 CNR2 (0.35) CNR2BDKRB1TP53CYP1A2CYP2D6
SCHEMBL2812435 0.94 OPRL1 (0.36) CNR2BDKRB1NTRK1OPRL1
SCHEMBL186139 0.94 OPRL1 (0.36) CNR2BDKRB1NTRK1OPRL1
SCHEMBL13166393 0.93 BDKRB1 (0.34) BDKRB1NTRK1PDE2AOPRL1
SCHEMBL186160 0.92 CNR2 (0.35) CNR2BDKRB1TP53CYP1A2CYP2D6
SCHEMBL2807750 0.92 CNR2 (0.35) CNR2BDKRB1TP53CYP1A2CYP2D6
SCHEMBL2809396 0.91 BDKRB1 (0.37) CNR2BDKRB1TP53CYP1A2CYP2D6
SCHEMBL185648 0.91 BDKRB1 (0.37) CNR2BDKRB1TP53CYP1A2CYP2D6
SCHEMBL2809124 0.91 CNR2 (0.36) CNR2BDKRB1TP53CYP1A2CYP2D6
SCHEMBL2812255 0.90 CNR2 (0.35) CNR2TP53CYP1A2CYP2D6CYP2C19

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 2 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-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 CNR2 882/4885BDKRB1 289/4885TP53 2836/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885BDKRB1 289/4885TP53 2836/4885

“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.