SCHEMBL12093322

SCHEMBL12093322

Cc1ccc(F)c(N(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ MAPT P10636 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CCR8 P51685 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL30592288 0.77 CYP1A2 (0.36) MAPTCYP1A2
SCHEMBL12093315 0.76 CCR1 (0.40) CCR1RAB9ACCR5MAPTCYP1A2
SCHEMBL30900495 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL3216556 0.73 KDM4E (0.47) CCR1RAB9ACCR5MAPTCYP1A2
SCHEMBL17425822 0.73 CCR1 (0.37) CCR1RAB9ACCR5MAPTCYP1A2
SCHEMBL13209499 0.73 NOS3 (0.38) CCR1RAB9ACCR5MAPTCYP1A2
SCHEMBL26281357 0.73 MEN1 (0.38) CCR1RAB9ACCR5MAPTCYP1A2
SCHEMBL13003518 0.70 — —
SCHEMBL31082078 0.70 — —
SCHEMBL31539802 0.70 — —

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-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 — — US disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 — — 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-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A CCR1 3326/4885RAB9A 1559/4885CCR5 1079/4885

“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.

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