SCHEMBL1969326

SCHEMBL1969326

Cc1ncc(C(=O)O)c(-c2cccc(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.51
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
PIN1 Q13526 1/20 0.48
KMO O15229 2/20 0.47
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
NTRK1 P04629 1/20 0.45
LDHA P00338 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RORB Q92753 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DCLRE1B Q9H816 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 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
SCHEMBL1967935 0.86 MEN1 (0.50) DHODHMEN1HPGDKMT2APIN1
SCHEMBL1966659 0.85 KMO (0.43) DHODHGAAHPGDKMOHCRTR1
SCHEMBL400143 0.84 NTRK1 (0.60) MEN1MAPTHPGDKMT2ANTRK1
SCHEMBL1971235 0.83 KMO (0.47) DHODHPIN1KMONTRK1LDHA
SCHEMBL8946347 0.83 MEN1 (0.64) MEN1GAAMAPTHPGDKMT2A
SCHEMBL6488782 0.82 NPC1 (0.49) DHODHMEN1MAPTHPGDKMT2A
SCHEMBL1967078 0.82 KMO (0.53) DHODHGAAHPGDKMOHCRTR1
SCHEMBL1971473 0.81 LMNA (0.53) DHODHHPGDKMT2APIN1HCRTR1
SCHEMBL5099569 0.80 PIN1 (0.50) DHODHKMT2APIN1KMONPC1
SCHEMBL1966552 0.80 HCRTR1 (0.46) DHODHGAAHPGDKMOHCRTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 DHODH 3582/4885MEN1 525/4885GAA 2389/4885

“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.