SCHEMBL3343579

SCHEMBL3343579

Cc1cc(Cl)c(CN(CCO)CCO)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.38
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 3/20 0.35
ALOX15 P16050 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP7 P55210 1/20 0.35
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CD44 P16070 1/20 0.33
BCHE P06276 1/20 0.33
RORC P51449 1/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 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
SCHEMBL3343573 0.79 SLC6A2 (0.35) CDK1NPSR1ALDH1A1ALOX15HSD17B10
SCHEMBL3342948 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2ALOX15HIF1AHSD17B10
SCHEMBL3341641 0.78 SLC6A4 (0.42) ALDH1A1CYP1A2ALOX15HIF1AHSD17B10
SCHEMBL3341060 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2ALOX15HIF1AHSD17B10
SCHEMBL3342937 0.71 ALDH1A1 (0.45) ALDH1A1CYP1A2ALOX15HIF1AHSD17B10
SCHEMBL1100198 0.71 CDK1 (0.41) CDK1NPSR1ALDH1A1CYP1A2ALOX15
SCHEMBL21985899 0.69 ALDH1A1 (0.44) CDK1ALDH1A1CYP1A2ALOX15HIF1A
SCHEMBL6272154 0.68 PRKCI (0.47) CDK1NPSR1ALDH1A1CYP1A2ALOX15
Hydrochloric Acid SCHEMBL6273900 0.67 ACHE (0.49) CDK1NPSR1ALDH1A1CYP1A2MAPK1
SCHEMBL15483823 0.66 ALDH1A1 (0.47) CDK1NPSR1ALDH1A1CYP1A2ALOX15

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
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
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 CDK1 997/4885NPSR1 48/4885ALDH1A1 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.