SCHEMBL1966659

SCHEMBL1966659

Cc1ncc(C(=O)O)c(-c2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NOTUM Q6P988 1/20 0.40
NTRK1 P04629 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 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
SCHEMBL1969326 0.85 DHODH (0.51) KMOHCRTR1HCRTR2HPGDNPC1
SCHEMBL6488782 0.84 NPC1 (0.49) KMOHTTHPGDKDM4ENPC1
SCHEMBL1967078 0.81 KMO (0.53) KMOHCRTR1HCRTR2HTTHPGD
SCHEMBL400143 0.79 NTRK1 (0.60) HTTHPGDLMNASMN1; SMN2NTRK1
SCHEMBL1966552 0.79 HCRTR1 (0.46) KMOHCRTR1HCRTR2HTTHPGD
SCHEMBL1971175 0.78 SMN1; SMN2 (0.49) HPGDKDM4ENPC1LMNARAB9A
SCHEMBL1968963 0.77 MCL1 (0.50) HCRTR1HCRTR2HTTNPC1LMNA
SCHEMBL10136766 0.77 CA2 (0.43) LMNASMN1; SMN2
SCHEMBL16806036 0.76 MEN1 (0.38) HCRTR1HCRTR2HTTHPGDSMN1; SMN2
SCHEMBL1967935 0.76 MEN1 (0.50) KMOHCRTR1HCRTR2HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US 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 KMO 1349/4885HCRTR1 2/4885HCRTR2 1/4885

“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.