SCHEMBL9903802

SCHEMBL9903802

O=C(c1cnc2cc(C#Cc3cccc(F)c3)cnc2n1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.49
PTK2 Q05397 1/20 0.48
CYP1A2 P05177 1/20 0.41
CHRM5 P08912 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL9902702 0.89 PTK2 (0.48) GRM5PTK2DPP4
SCHEMBL9903518 0.88 PTK2 (0.56) GRM5PTK2DPP4
SCHEMBL9903792 0.85 PTK2 (0.50) GRM5PTK2DPP4
SCHEMBL14838741 0.78 GRM5 (0.67) GRM5CYP1A2CHRM5
SCHEMBL9903632 0.73 PTK2 (0.55) GRM5PTK2DPP4
SCHEMBL16151531 0.73 GRM5 (0.57) GRM5
SCHEMBL9903074 0.73 GRM5 (0.48) GRM5
SCHEMBL1657051 0.72 GRM5 (0.75) GRM5
SCHEMBL1658131 0.71 GRM5 (0.73) GRM5
SCHEMBL13388540 0.71 GRM5 (0.69) GRM5CYP1A2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US claimed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP claimed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 GRM5 1/4885PTK2 3720/4885CYP1A2 3627/4885

“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.