SCHEMBL3342628

SCHEMBL3342628

Cc1cc2ccn(CCO)c2cc1N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
ATAD2 Q6PL18 1/20 0.39
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
ACACB O00763 1/20 0.36
PRKCI P41743 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
TERT O14746 1/20 0.34
KMO O15229 1/20 0.34
LMNA P02545 1/20 0.33
HTR7 P34969 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
SCHEMBL3345894 0.81 ACACB (0.37) MCL1HTR2AHTR2CPLGPLAU
SCHEMBL18911877 0.81 HTR2C (0.53) MCL1HTR2AHTR2CPLGPLAU
SCHEMBL3339367 0.75 PRKCI (0.55) ATAD2PRKCITERT
SCHEMBL3345965 0.75 ALDH1A1 (0.44) ATAD2TERTLMNA
SCHEMBL13836419 0.75 PRKCI (0.55) HTR2AHTR2CPLGPLAUACACB
SCHEMBL11622820 0.75 HTR2A (0.57) MCL1HTR2AHTR2CPLGPLAU
SCHEMBL8814515 0.74 HTR2A (0.40) MCL1HTR2AHTR2CPLGPLAU
SCHEMBL1744651 0.74 DUT (0.41) MCL1HTR2AHTR2CATAD2TERT
SCHEMBL31130021 0.73 MTNR1A (0.44) LMNA
SCHEMBL25310206 0.73 HTR2A (0.63) HTR2AHTR2CPLGPLAUACACB

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 6 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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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 (2 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 MCL1 2825/4885HTR2A 314/4885HTR2C 380/4885
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 MCL1 2482/4885HTR2A 193/4885HTR2C 354/4885

“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.