SCHEMBL1970040

SCHEMBL1970040

COc1ccc(CCN(CC2CC2)C(=O)c2nc(C3CC3)sc2-c2cc(F)cc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.38
HCRTR2 O43614 5/20 0.38
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACKR3 P25106 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
CHRM5 P08912 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
SCHEMBL1966114 0.91 HCRTR1 (0.47) HCRTR1HCRTR2LPAR1LPAR5KMT2A
SCHEMBL1969287 0.90 KDM4E (0.41) HCRTR1HCRTR2KMT2AMEN1NPSR1
SCHEMBL1965767 0.89 HCRTR1 (0.48) HCRTR1HCRTR2LPAR1LPAR5KMT2A
SCHEMBL2407884 0.88 TP53 (0.42) HCRTR1HCRTR2LPAR1LPAR5KMT2A
SCHEMBL1969317 0.86 HCRTR1 (0.43) HCRTR1HCRTR2LPAR1LPAR5KMT2A
SCHEMBL1968038 0.85 HCRTR1 (0.33) HCRTR1HCRTR2LPAR1LPAR5ACKR3
SCHEMBL1967471 0.85 CHRM5 (0.42) HCRTR1HCRTR2LPAR1LPAR5KDM4E
SCHEMBL2410001 0.84 HCRTR1 (0.42) HCRTR1HCRTR2NPSR1GAAKDM4E
SCHEMBL1967039 0.84 HCRTR1 (0.51) HCRTR1HCRTR2LPAR1LPAR5KMT2A
SCHEMBL1967329 0.82 HCRTR1 (0.50) HCRTR1HCRTR2F2F10F7

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 6 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 claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
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 1/4885LPAR1 186/4885

“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.