SCHEMBL3634017

SCHEMBL3634017

CCCNc1c(C)ccc(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.37
CD44 P16070 1/20 0.37
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
APP P05067 1/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA2 P47869 2/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
ELANE P08246 1/20 0.33
MAPK14 Q16539 1/20 0.33
LIMK1 P53667 1/20 0.32
SLC2A1 P11166 1/20 0.32
LMNA P02545 2/20 0.32
CA12 O43570 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
SCHEMBL8013925 0.80 MAPT (0.43) KDM4EGAAALDH1A1MAPTHTT
SCHEMBL3635788 0.80 CD44 (0.43) KDM4EGAAALDH1A1CD44MAPT
SCHEMBL1136253 0.76 MAPT (0.50) KDM4EGAACD44MAPTHTT
SCHEMBL3635513 0.76 KDM4E (0.36) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL11660041 0.72 TRPA1 (0.43) ALDH1A1MAPTHTTCYP3A4TSHR
SCHEMBL11662825 0.72 MAPK14 (0.51) KDM4EGAAMAPTHTTELANE
SCHEMBL7536229 0.69 CRHR1 (0.44) ALDH1A1CYP3A4MEN1CYP1A2CYP2D6
SCHEMBL26491588 0.69 MAPK1 (0.36) KDM4EGAAALDH1A1MAPTCYP3A4
SCHEMBL13718474 0.69 MAPT (0.42) KDM4EGAAALDH1A1MAPTHTT
SCHEMBL21991403 0.69 POLB (0.42) KDM4EGAAALDH1A1POLBCD44

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 597/4885ALDH1A1 45/4885

“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.