SCHEMBL1311887

SCHEMBL1311887

COC(=O)c1cc(-c2cc3ccccc3[nH]2)n(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ MMP14 P50281 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41

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
SCHEMBL1311192 0.86 KDM4E (0.45) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL12011406 0.86 BRD4 (0.47) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1312444 0.76 KDM4E (0.48) KDM4EALDH1A1HSD17B10
SCHEMBL1311918 0.76 KDM4E (0.61) KDM4EMAPTALDH1A1HSD17B10LMNA
SCHEMBL4296485 0.76 GRM5 (0.55) MMP2MMP13MMP14KDM4EALDH1A1
SCHEMBL1311450 0.75 KDM4E (0.49) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27831435 0.74 MAPT (0.54) MMP2MMP13MMP14ADORA3KDM4E
SCHEMBL14481501 0.73 ACHE (0.57) ADORA3SLC6A3KDM4EMAPTALDH1A1
SCHEMBL1314901 0.73 KDM4E (0.49) KDM4EALDH1A1HSD17B10
SCHEMBL1311891 0.72 KDM4E (0.48) KDM4EALDH1A1HSD17B10

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
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
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 MMP2 3113/4885MMP13 3546/4885MMP14 2627/4885

“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.

Send feedback