SCHEMBL9902702

SCHEMBL9902702

O=C(c1cnc2cc(C#Cc3ccc(F)cc3)cnc2n1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
GRM5 P41594 6/20 0.40
DPP4 P27487 2/20 0.40
GRM2 Q14416 2/20 0.39
SCN9A Q15858 1/20 0.38
HPGD P15428 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CA P42336 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL9903518 0.89 PTK2 (0.56) PTK2NPC1RAB9AGRM5DPP4
SCHEMBL9903802 0.89 GRM5 (0.49) PTK2GRM5DPP4
SCHEMBL9903792 0.85 PTK2 (0.50) PTK2NPC1RAB9ATP53GRM5
SCHEMBL9903632 0.75 PTK2 (0.55) PTK2NPC1RAB9AMAPTGRM5
SCHEMBL16151536 0.71 HPGD (0.65) GRM5HPGD
SCHEMBL9903310 0.70 GRM5 (0.40) NPC1RAB9ATP53MAPTHTT
SCHEMBL1657950 0.69 GRM5 (0.78) NPC1RAB9ATP53MAPTHTT
SCHEMBL12731041 0.68 GRM5 (0.76) NPC1RAB9ATP53MAPTHTT
SCHEMBL29944135 0.67 HRH3 (0.54) PTK2NPC1RAB9ATP53MAPT
SCHEMBL9903655 0.67 EGLN1 (0.40) GRM5

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 PTK2 3720/4885NPC1 1327/4885RAB9A 1718/4885

“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.