SCHEMBL412331

SCHEMBL412331

O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OC[C@H]2CCOC2)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.52
CNR2 P34972 3/20 0.47
GRM4 Q14833 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TACR2 P21452 1/20 0.40
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL441170 1.00 CNR1 (0.52) CNR1CNR2GRM4TP53MAPT
SCHEMBL411188 1.00 CNR1 (0.52) CNR1CNR2GRM4TP53MAPT
SCHEMBL444586 0.89 CNR1 (0.45) CNR1CNR2TP53MAPTTACR2
SCHEMBL412122 0.89 CNR1 (0.45) CNR1CNR2TP53MAPTTACR2
SCHEMBL470483 0.88 CNR1 (0.41) CNR1CNR2TP53MAPTMAPK1
SCHEMBL16938619 0.87 CNR1 (0.49) CNR1CNR2TP53MAPTP2RX3
SCHEMBL411092 0.85 CNR1 (0.55) CNR1CNR2TP53MAPTTACR2
SCHEMBL411182 0.85 CNR1 (0.47) CNR1CNR2TP53MAPTTACR2
SCHEMBL412095 0.84 CNR1 (0.55) CNR1CNR2TP53MAPTTACR2
SCHEMBL412322 0.84 CNR1 (0.49) CNR1CNR2

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
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885CNR2 435/4885GRM4 3412/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885CNR2 435/4885GRM4 3412/4885

“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.