SCHEMBL3635568

SCHEMBL3635568

CCCn1c(-c2ccc(Nc3ccc(C)cc3)cc2)nc2ccc(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.49
GRM5 P41594 3/20 0.49
CYP11B2 P19099 3/20 0.47
CYP11B1 P15538 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RPS6KA5 O75582 1/20 0.41
BRD4 O60885 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3635470 0.91 GRM5 (0.58) RORCGRM5CYP11B2CYP11B1KDM4E
SCHEMBL3637420 0.89 GRM5 (0.49) RORCGRM5CYP11B2CYP11B1
SCHEMBL3636818 0.89 GRM5 (0.63) RORCGRM5CYP11B2CYP11B1KDM4E
SCHEMBL3633416 0.84 GRM5 (0.72) RORCGRM5CYP11B2CYP11B1BRD4
SCHEMBL3633531 0.83 MAPT (0.53) RORCGRM5CYP11B2CYP11B1KDM4E
SCHEMBL3635805 0.81 GRM5 (0.57) GRM5CYP11B2CYP11B1BRD4MAPT
SCHEMBL3631794 0.79 GRM5 (0.60) RORCGRM5CYP11B2CYP11B1BRD4
SCHEMBL3633630 0.79 KDM4E (0.52) GRM5CYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL3631224 0.79 KDM4E (0.51) GRM5CYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL3632412 0.78 GRM5 (0.79) GRM5CYP11B2CYP11B1BRD4MAPT

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 RORC 297/4885GRM5 4545/4885CYP11B2 38/4885

“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.