SCHEMBL3345965

SCHEMBL3345965

Cc1cc2cc(C)n(CCO)c2cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 2/20 0.41
ATAD2 Q6PL18 1/20 0.40
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.36
TERT O14746 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 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
SCHEMBL3342628 0.75 MCL1 (0.40) LMNAATAD2TERT
SCHEMBL3345161 0.71 HTR2A (0.41) ATAD2KDM4EHTTTERTCYP1A2
SCHEMBL5786592 0.70 TP53 (0.60) ALDH1A1HSD17B10KDM4EKMT2ASMN1; SMN2
SCHEMBL3341419 0.67 ATAD2 (0.40) ALDH1A1HSD17B10ATAD2GAATSHR
SCHEMBL3339367 0.66 PRKCI (0.55) ALDH1A1ATAD2TERTMAPTTSHR
SCHEMBL3483348 0.66 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10KDM4EKMT2A
SCHEMBL3879216 0.65 KDM4E (0.39) ALDH1A1LMNAHSD17B10KDM4EKMT2A
SCHEMBL21603505 0.65 ATAD2 (0.44) ALDH1A1HSD17B10ATAD2TERTTSHR
SCHEMBL28846850 0.63 LMNA (0.53) ALDH1A1LMNAHSD17B10KDM4EKMT2A
SCHEMBL15099967 0.63 CFTR (0.35) ALDH1A1LMNAHSD17B10KDM4EKMT2A

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-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 ALDH1A1 1115/4885LMNA 2695/4885HSD17B10 4507/4885

“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.