SCHEMBL2203294

SCHEMBL2203294

O=C(O)c1cc(-c2ccc(C(F)(F)F)cn2)cc(-n2cnnn2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 18/20 0.51
OPRD1 P41143 4/20 0.50
KCNH2 Q12809 2/20 0.50
TMEM97 Q5BJF2 2/20 0.47
TSPO P30536 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
NOTUM Q6P988 1/20 0.44

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
SCHEMBL18172463 0.85 P2RY14 (0.65) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL357679 0.83 NOTUM (0.44) P2RY14NOTUM
SCHEMBL2204284 0.79 KCNJ1 (0.39) P2RY14OPRD1
SCHEMBL2203428 0.78 P2RX7 (0.54) P2RY14
SCHEMBL28475663 0.77 P2RY14 (0.51) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL4321362 0.75 SMN1; SMN2 (0.44) P2RY14OPRD1KCNH2NOTUM
SCHEMBL4324303 0.74 SMN1; SMN2 (0.53) P2RY14NOTUM
SCHEMBL29994366 0.74 MRGPRX4 (0.57)
SCHEMBL4320066 0.73 P2RY14 (0.47) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL15569573 0.73 NOTUM (0.53) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R P2RY14 3075/4885OPRD1 1006/4885KCNH2 2534/4885

“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.