SCHEMBL13166393

SCHEMBL13166393

CNc1cncc(C(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccc(C)cc4C(F)(F)F)cc3F)CCOC2)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.34
NTRK1 P04629 3/20 0.32
PDE2A O00408 8/20 0.31
DHODH Q02127 2/20 0.31
OPRL1 P41146 1/20 0.31
KDM1A O60341 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL186139 0.94 OPRL1 (0.36) BDKRB1NTRK1OPRL1HDAC1
SCHEMBL2812435 0.94 OPRL1 (0.36) BDKRB1NTRK1OPRL1HDAC1
SCHEMBL186328 0.93 CNR2 (0.35) BDKRB1NTRK1PDE2AOPRL1
SCHEMBL2805102 0.93 CNR2 (0.35) BDKRB1NTRK1PDE2AOPRL1
SCHEMBL13166245 0.88 OPRL1 (0.35) BDKRB1NTRK1OPRL1HDAC1
SCHEMBL185775 0.88 OPRL1 (0.35) BDKRB1NTRK1OPRL1
SCHEMBL2808195 0.88 OPRL1 (0.35) BDKRB1NTRK1OPRL1
SCHEMBL2811472 0.85 BDKRB1 (0.35) BDKRB1OPRL1HDAC1
SCHEMBL2811476 0.85 BDKRB1 (0.35) BDKRB1OPRL1HDAC1
SCHEMBL13128561 0.85 OPRL1 (0.36) BDKRB1OPRL1HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885NTRK1 4210/4885PDE2A 1029/4885

“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.