SCHEMBL13129178

SCHEMBL13129178

Cc1ccc(C(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccc(Cl)cc4C(F)(F)F)cc3F)CCOC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.37
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE2A O00408 1/20 0.35
BACE1 P56817 1/20 0.34
CNR1 P21554 1/20 0.34
TP53 P04637 3/20 0.33
GNRHR P30968 1/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
RAF1 P04049 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2810858 0.93 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2805721 0.92 EPHX2 (0.37) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL185091 0.92 EPHX2 (0.37) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2812255 0.90 CNR2 (0.35) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2807388 0.90 BDKRB1 (0.39) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2809124 0.89 CNR2 (0.36) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL186328 0.88 CNR2 (0.35) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2805102 0.88 CNR2 (0.35) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2807750 0.88 CNR2 (0.35) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL186160 0.88 CNR2 (0.35) CNR2RAB9ACYP1A2CYP2D6CYP2C19

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-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

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 CNR2 882/4885RAB9A 347/4885CYP1A2 892/4885

“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.