SCHEMBL9905489

SCHEMBL9905489

Brc1cnc2nc(N3CCCCC3)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.76
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
KCNH2 Q12809 9/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL21096638 0.98 HRH3 (0.74) HRH3NPC1RAB9AALDH1A1MAPT
SCHEMBL21061798 0.95 HRH3 (0.70) HRH3NPC1RAB9AALDH1A1MAPT
SCHEMBL12041251 0.87 HRH3 (1.00) HRH3KCNH2
SCHEMBL21154511 0.85 HRH3 (0.62) HRH3NPC1RAB9AALDH1A1MAPT
SCHEMBL21061867 0.75 HRH3 (0.49) HRH3NPC1RAB9AALDH1A1HTT
SCHEMBL21061903 0.75 HRH3 (0.57) HRH3KCNH2
SCHEMBL21061902 0.75 HRH3 (0.57) HRH3KCNH2
SCHEMBL20783935 0.75 HRH3 (0.48) HRH3KCNH2L3MBTL1
SCHEMBL9903609 0.74 HRH3 (0.56) HRH3ALDH1A1KCNH2
SCHEMBL20489547 0.73 HRH3 (0.48) HRH3NPC1RAB9AALDH1A1MAPT

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-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 HRH3 462/4885NPC1 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.