SCHEMBL1312694

SCHEMBL1312694

Cn1nc(C(=O)NCCN2CC(F)(F)C2)cc1-c1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ HTR1A P08908 10/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PLD1 Q13393 5/20 0.41
▸ PLD2 O14939 4/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL1311320 0.88 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL1312027 0.87 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL1312297 0.85 SMN1; SMN2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL1312563 0.77 RIPK1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4HDAC6
SCHEMBL12011409 0.75 MAP4K4 (0.53) —
SCHEMBL1315274 0.75 MGAM (0.49) —
SCHEMBL1313478 0.74 KDM4E (0.49) CHRNB2CHRNA4
SCHEMBL1315261 0.73 HDAC6 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4HDAC6
SCHEMBL1315662 0.73 SMN1; SMN2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1312257 0.73 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A

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 16 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 claimed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 — — US claimed
EP-2386546-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RaQualia Pharma Inc (JP) 2011-11-16 — — EP claimed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 — — US claimed
CN-102224142-A Having a 5-HT2BNovel pyrazole-3-carboxamide derivatives having receptor antagonistic activity RAQUALIA PHARMA INC 2011-10-19 — — CN claimed
US-RE42840-E1 Stool flushing device TOTO, LTD. (JP) 2011-10-18 — — US claimed
EP-2386546-B1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC (JP) 2015-08-19 — — EP disclosed
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
CN-102224142-A Having a 5-HT2BNovel pyrazole-3-carboxamide derivatives having receptor antagonistic activity RAQUALIA PHARMA INC 2011-10-19 — — CN 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 261/4885CHRNB4 401/4885CHRNA3 188/4885

“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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