SCHEMBL1167041

SCHEMBL1167041

CC(=O)c1ccc(Cn2cc(NC(=O)OCc3c(F)ccc(C)c3F)cn2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ HTT P42858 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TAS2R8 Q9NYW2 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL1166008 0.91 HCRTR1 (0.45) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1166373 0.91 HCRTR1 (0.45) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1166176 0.90 MEN1 (0.44) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1167144 0.86 HCRTR1 (0.48) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1166111 0.86 TAS2R8 (0.38) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1166374 0.86 MEN1 (0.46) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1166183 0.85 HCRTR1 (0.49) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1166369 0.85 KDM4E (0.49) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1166708 0.84 HCRTR1 (0.51) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1
SCHEMBL1167856 0.84 ALDH1A1 (0.50) HCRTR1HCRTR2HTTSMN1; SMN2ALDH1A1

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-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 — — EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 — — US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 — — US claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 — — EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 — — US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 — — US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 — — EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 — — 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 HCRTR1 2862/4885HCRTR2 2700/4885HTT 3838/4885

“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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