SCHEMBL9903299

SCHEMBL9903299

C(#Cc1ccc2ccnn2c1)C1=CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
GRM5 P41594 2/20 0.48
FFAR1 O14842 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL9903641 0.80 CYP1A2 (0.48) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL1992055 0.73 APP (0.46) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL27881974 0.71 FFAR1 (0.58) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL9903316 0.70 GRM5 (0.43) GRM5FFAR1DRD2DRD4DRD3
SCHEMBL3346711 0.69 GRM5 (0.52) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL25334458 0.68 SLC6A2 (0.35) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL1930369 0.67 NPC1 (0.51) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL25417020 0.67 KDR (0.43) CYP1A2GRM5DRD2DRD4DRD3
SCHEMBL13520581 0.66 FFAR1 (0.52) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL28848483 0.66 GRM5 (0.56) CYP1A2GRM5FFAR1NPC1RAB9A

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 CYP1A2 3627/4885GRM5 1/4885FFAR1 246/4885

“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.