SCHEMBL3341641

SCHEMBL3341641

Cc1cc(Cl)c(CN(C)C)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.42
HTR2A P28223 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 2/20 0.41
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 5/20 0.40
CD44 P16070 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3342937 0.78 ALDH1A1 (0.45) SLC6A4ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL3343579 0.78 CDK1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL13527032 0.77 CD44 (0.54) SLC6A4HTR2AALDH1A1CYP1A2ALOX15
SCHEMBL3341060 0.76 ALDH1A1 (0.43) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3341636 0.74 SLC6A4 (0.50) SLC6A4HTR2AALDH1A1KCNH2SLC6A2
SCHEMBL3342948 0.73 ALDH1A1 (0.41) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL1664066 0.72 SLC6A4 (0.64) SLC6A4HTR2AALDH1A1KCNH2SLC6A2
SCHEMBL30402664 0.72 SLC6A4 (0.64) SLC6A4HTR2AALDH1A1KCNH2SLC6A2
SCHEMBL6944526 0.71 CD44 (0.62) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL10341258 0.71 ALDH1A1 (0.64) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 SLC6A4 693/4885HTR2A 314/4885ALDH1A1 1399/4885

“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.