SCHEMBL2476367

SCHEMBL2476367

Cc1cc(C)nc(-c2ccc(C)nc2C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.42
HCRTR1 O43613 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.36
USP2 O75604 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MDM2 Q00987 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL31372446 0.83 HCRTR2 (0.41) HCRTR2HCRTR1ALDH1A1MAPTKMT2A
SCHEMBL3385656 0.83 HCRTR2 (0.41) HCRTR2HCRTR1ALDH1A1MAPTKMT2A
SCHEMBL264270 0.81 HCRTR2 (0.50) HCRTR2HCRTR1ALDH1A1MAPTNPSR1
SCHEMBL30775045 0.81 HCRTR2 (0.50) HCRTR2HCRTR1ALDH1A1MAPTNPSR1
Lithium SCHEMBL607039 0.79 HCRTR2 (0.49) HCRTR2HCRTR1ALDH1A1MAPTNPSR1
SCHEMBL30775053 0.79 HCRTR2 (0.42) HCRTR2HCRTR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL607037 0.79 HCRTR2 (0.49) HCRTR2HCRTR1ALDH1A1MAPTNPSR1
SCHEMBL2471955 0.79 HCRTR2 (0.42) HCRTR2HCRTR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3387269 0.77 HCRTR2 (0.46) HCRTR2HCRTR1
SCHEMBL610009 0.76 PIN1 (0.49) SMN1; SMN2HTTLMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300857-A N-{[(ir,4s,6r-3-(2-pyridinylcarbonyl)-3-azabicyclo [4.1.0]hept-4-yl] Methyl}-2-heteroarylamine Derivatives And Uses Thereof 2011-12-28 CN disclosed
EP-2370426-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF Glaxo Group Limited (GB) 2011-10-05 EP disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B HCRTR2 1425/4885HCRTR1 2016/4885SMN1; SMN2 1195/4885

“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.