SCHEMBL3636751

SCHEMBL3636751

CCCNc1c(C)cc(C)cc1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
CRHR1 P34998 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35
SKP2 Q13309 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL12963494 0.86 RAPGEF4 (0.50) RAPGEF4ALDH1A1LMNAMAPTCRHR1
SCHEMBL12909372 0.84 RAPGEF4 (0.44) RAPGEF4ALDH1A1LMNAMAPTKDM4E
SCHEMBL22118789 0.76 MAPK14 (0.39) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL19437477 0.74 KDM4E (0.43) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL2756366 0.74 RAPGEF4 (0.57) RAPGEF4ALDH1A1LMNAMAPTGAA
SCHEMBL21015410 0.74 MAPT (0.56) RAPGEF4ALDH1A1MAPTKDM4EGAA
SCHEMBL19908710 0.73 CNR2 (0.36) RAPGEF4ALDH1A1LMNAMAPTKDM4E
SCHEMBL3635788 0.73 CD44 (0.43) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL23009590 0.73 RAPGEF4 (0.50) RAPGEF4ALDH1A1LMNAMAPTKDM4E
SCHEMBL13917945 0.71 RAPGEF4 (0.48) RAPGEF4ALDH1A1LMNA

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 RAPGEF4 4560/4885ALDH1A1 45/4885LMNA 3098/4885

“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.