SCHEMBL3635513

SCHEMBL3635513

CCCNc1c(N)ccc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
SKP2 Q13309 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.33
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
S100B P04271 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL3635788 0.77 CD44 (0.43) KDM4EGAAALDH1A1CYP3A4MAPT
SCHEMBL3634017 0.76 KDM4E (0.41) KDM4EGAAALDH1A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL11428328 0.73 TLR8 (0.39) KDM4EGAASKP2ALDH1A1MAPT
SCHEMBL21295276 0.73 MAPT (0.34) KDM4EGAAALDH1A1CYP3A4MAPT
SCHEMBL6270848 0.71 CYP3A4 (0.39) KDM4EGAASKP2ALDH1A1CYP3A4
SCHEMBL3631169 0.70 MAPT (0.49) GAAALDH1A1CYP3A4MAPTMEN1
SCHEMBL28276793 0.69 ALDH1A1 (0.49) GAASKP2ALDH1A1CYP3A4MAPT
SCHEMBL3636751 0.69 RAPGEF4 (0.41) KDM4EGAASKP2ALDH1A1MAPT
SCHEMBL15928722 0.69 ALDH1A1 (0.43) SKP2ALDH1A1CYP3A4MAPTCYP1A2
SCHEMBL8013925 0.69 MAPT (0.43) KDM4EGAAALDH1A1CYP3A4MAPT

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 KDM4E 2938/4885GAA 597/4885SKP2 3308/4885

“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.