SCHEMBL3630299

SCHEMBL3630299

CCCn1c(-c2cnc(Nc3cc(C)no3)c(Cl)c2)nc2cccc(Cl)c21

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.72
CYP11B1 P15538 1/20 0.35
VDR P11473 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CASR P41180 2/20 0.34
MAPT P10636 1/20 0.34
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3633520 0.84 GRM5 (1.00) GRM5
SCHEMBL3635990 0.84 GRM5 (0.76) GRM5CYP11B1CASRMAPTCRHR1
SCHEMBL3632286 0.83 GRM5 (0.82) GRM5MAPTCRHR1
SCHEMBL3629882 0.83 GRM5 (0.75) GRM5CYP11B1MAPT
SCHEMBL3634911 0.83 GRM5 (0.78) GRM5KDM4ELMNA
SCHEMBL3634583 0.83 GRM5 (0.72) GRM5CYP11B1MAPTCRHR1KDM4E
SCHEMBL3635831 0.82 GRM5 (0.82) GRM5CYP11B1CASRMAPTLMNA
SCHEMBL3634654 0.82 GRM5 (0.76) GRM5
SCHEMBL3633657 0.81 GRM5 (0.69) GRM5CYP11B1MAPT
SCHEMBL3628385 0.81 GRM5 (0.69) GRM5MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 GRM5 4545/4885CYP11B1 33/4885VDR 1428/4885

“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.