SCHEMBL3634757

SCHEMBL3634757

CCCn1c(-c2ccc(Nc3ccc(C)nc3)cn2)nc2ccc(F)cc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.58
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 3/20 0.44
RPS6KA5 O75582 1/20 0.39
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
DHFR P00374 1/20 0.36
BMI1 P35226 2/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL3636818 0.89 GRM5 (0.63) GRM5CYP11B2CYP11B1BRD4KDM4E
SCHEMBL3631794 0.84 GRM5 (0.60) GRM5CYP11B2CYP11B1BRD4BMI1
SCHEMBL3632240 0.82 GRM5 (0.86) GRM5CYP11B2CYP11B1
SCHEMBL3633693 0.81 GRM5 (0.69) GRM5CYP11B2CYP11B1BRD4KDM4E
SCHEMBL3635568 0.77 RORC (0.49) GRM5CYP11B2CYP11B1RPS6KA5BRD4
SCHEMBL3635613 0.76 GRM5 (0.81) GRM5CYP11B2CYP11B1
SCHEMBL3635470 0.76 GRM5 (0.58) GRM5CYP11B2CYP11B1BRD4KDM4E
SCHEMBL3637420 0.74 GRM5 (0.49) GRM5CYP11B2CYP11B1BMI1
SCHEMBL3634869 0.74 GRM5 (0.60) GRM5CYP11B1KDM4ELMNA
SCHEMBL3632582 0.74 GRM5 (0.81) GRM5KDM4ELMNA

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 4545/4885CYP11B2 38/4885CYP11B1 33/4885

“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.