SCHEMBL1311891

SCHEMBL1311891

Cn1nc(C(=O)NCCN2CCC(F)(F)CC2)cc1-c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ VCP P55072 3/20 0.47
▸ PLD2 O14939 3/20 0.44
▸ PLD1 Q13393 2/20 0.44

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
SCHEMBL1311918 0.90 KDM4E (0.61) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL1311144 0.89 KDM4E (0.62) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL1311450 0.86 KDM4E (0.49) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL1314901 0.86 KDM4E (0.49) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL1312276 0.86 KDM4E (0.47) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL1312444 0.85 KDM4E (0.48) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL1311838 0.85 KDM4E (0.48) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL1312282 0.82 KDM4E (0.45) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL1312989 0.82 KDM4E (0.56) KDM4EHSD17B10ALDH1A1
SCHEMBL1311762 0.81 KDM4E (0.48) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3

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
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 KDM4E 3923/4885HSD17B10 1637/4885CHRNB2 261/4885

“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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