SCHEMBL1166149

SCHEMBL1166149

Cc1cccc(COC(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.47
HCRTR1 O43613 3/20 0.47
SCD O00767 6/20 0.44
SCD5 Q86SK9 5/20 0.44
TAS2R8 Q9NYW2 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 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
SCHEMBL1166489 0.91 SCD (0.46) HCRTR2HCRTR1SCDSCD5TAS2R8
SCHEMBL1166446 0.91 MEN1 (0.50) HCRTR2HCRTR1SCDSCD5MEN1
SCHEMBL1167745 0.90 SCD (0.50) SCDSCD5TAS2R8ALDH1A1SMN1; SMN2
SCHEMBL1166181 0.89 SCD (0.41) HCRTR2HCRTR1SCDSCD5TAS2R8
SCHEMBL1167389 0.87 HCRTR1 (0.41) HCRTR2HCRTR1SCDSCD5TAS2R8
SCHEMBL1166153 0.86 HCRTR1 (0.61) HCRTR2HCRTR1SCDSCD5TAS2R8
SCHEMBL1166978 0.85 SMN1; SMN2 (0.42) HCRTR2HCRTR1SCDSCD5TAS2R8
SCHEMBL1167395 0.85 ALDH1A1 (0.47) SCDSCD5TAS2R8MEN1KMT2A
SCHEMBL1167409 0.83 CACNA1G (0.48) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1166681 0.82 SCD5 (0.43) HCRTR2HCRTR1SCDSCD5TAS2R8

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 HCRTR2 2700/4885HCRTR1 2862/4885SCD 4685/4885

“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.