SCHEMBL1314439

SCHEMBL1314439

Cn1nc(C(=O)NCCN2CCCC(O)C2)cc1-c1cc2ncccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ PLD2 O14939 1/20 0.39
▸ PLD1 Q13393 1/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ PDE10A Q9Y233 3/20 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
SCHEMBL1313536 0.90 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL1311762 0.87 KDM4E (0.48) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL12012710 0.82 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL12012845 0.77 KDM4E (0.46) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL12012671 0.77 PLD2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL1312238 0.77 PLD2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL1314901 0.77 KDM4E (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL1311918 0.76 KDM4E (0.61) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL1311144 0.75 KDM4E (0.62) CHRNB2CHRNA4CHRNB4CHRNA3PLD2
SCHEMBL1311450 0.73 KDM4E (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PLD2

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 8 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
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 CHRNB2 261/4885CHRNA4 296/4885CHRNB4 401/4885

“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.

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