SCHEMBL1966335

SCHEMBL1966335

COC(=O)c1nc(C2CC2)sc1-c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 3/20 0.35
RCE1 Q9Y256 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CETP P11597 2/20 0.34
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33
AHR P35869 1/20 0.33
RAF1 P04049 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL1967919 0.86 RXRA (0.39) HCRTR1HCRTR2ALDH1A1SMN1; SMN2RXRA
SCHEMBL924311 0.85 ALDH1A1 (0.44) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1141722 0.83 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL983342 0.81 KDM4E (0.46) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27817791 0.80 ALOX5 (0.37) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL924869 0.80 KDM4E (0.48) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL12864512 0.79 GPR52 (0.39) HCRTR1HCRTR2ALDH1A1SMN1; SMN2NOTUM
SCHEMBL980832 0.78 SLC6A3 (0.55) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27817795 0.77 RXRA (0.47) KDM4ESMN1; SMN2RXRARXRBRXRG
SCHEMBL18003917 0.76 SLC9A1 (0.38) KDM4EALDH1A1HPGDHSD17B10PKM

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 HCRTR1 2/4885HCRTR2 1/4885KDM4E 452/4885

“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.