SCHEMBL1312697

SCHEMBL1312697

CCOC(CNC(=O)c1cc(C(C)=O)n(C)n1)OCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1311811 0.88 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1313129 0.83 ATM (0.42) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17011395 0.78 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21597598 0.72 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AATMKMT2A
SCHEMBL1313891 0.72 LMNA (0.52) SMN1; SMN2NPC1RAB9AMAPTATM
SCHEMBL12011418 0.70 MEN1 (0.42) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13281290 0.68 MEN1 (0.52) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1312822 0.67 KDM4E (0.46) L3MBTL1MAPTKMT2AMEN1KDM4E
SCHEMBL24799262 0.67 BAZ2B (0.51) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13279000 0.66 LMNA (0.59) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386546-B1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC (JP) 2015-08-19 EP disclosed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 US disclosed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 US disclosed
EP-2386546-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RaQualia Pharma Inc (JP) 2011-11-16 EP disclosed
EP-2386546-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RaQualia Pharma Inc (JP) 2011-11-16 EP disclosed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 US disclosed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 US disclosed
US-RE42840-E1 Stool flushing device TOTO, LTD. (JP) 2011-10-18 US disclosed
WO-2010058858-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY ラクオリア創薬株式会社 (JP) 2010-05-27 WO 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-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY HTR2B, HTR1B, HTR3B L3MBTL1 4719/4885SMN1; SMN2 3259/4885NPC1 1754/4885

“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.