SCHEMBL1101173

SCHEMBL1101173

Cc1[c]cc2c(c1)N(C)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PKM P14618 2/20 0.39
AR P10275 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 1/20 0.38
GRM5 P41594 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
FGB P02675 1/20 0.36
NPC1 O15118 1/20 0.36
PKLR P30613 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL27432567 0.74 L3MBTL1 (0.50) NOTUMCYP11B1CYP11B2PKMAR
SCHEMBL54818 0.74 CYP11B1 (0.41) NOTUMCYP11B1CYP11B2PKMAR
SCHEMBL5022145 0.73 KMT2A (0.52) CYP11B1CYP11B2PKMPOLBALDH1A1
SCHEMBL154510 0.71 CYP11B1 (0.52) NOTUMCYP11B1CYP11B2PKMAR
SCHEMBL2205252 0.71 ALDH1A1 (0.35) L3MBTL1POLBALDH1A1HTTNPC1
SCHEMBL20564042 0.71 ALDH1A1 (0.41) NOTUMCYP11B1CYP11B2PKMAR
SCHEMBL1451118 0.70 CYP11B1 (0.38) NOTUMCYP11B1CYP11B2PKMAR
SCHEMBL16404599 0.70 L3MBTL1 (0.47) CYP11B1CYP11B2PKMARL3MBTL1
SCHEMBL3342058 0.69 L3MBTL1 (0.46) CYP11B1CYP11B2PKMARL3MBTL1
SCHEMBL16664383 0.69 CYP11B1 (0.47) NOTUMCYP11B1CYP11B2PKMAR

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 10 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-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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 NOTUM 4877/4885CYP11B1 2683/4885CYP11B2 3095/4885
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 NOTUM 4871/4885CYP11B1 2424/4885CYP11B2 2591/4885

“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.