SCHEMBL1965767

SCHEMBL1965767

COc1ccc(CCN(CC2CC2)C(=O)c2nc(C3CC3)sc2-c2ccc(F)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.48
HCRTR2 O43614 5/20 0.48
GAA P10253 1/20 0.42
LPAR1 Q92633 3/20 0.41
LPAR5 Q9H1C0 3/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.36
LTC4S Q16873 1/20 0.36

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
SCHEMBL2410001 0.93 HCRTR1 (0.42) HCRTR1HCRTR2GAATSHR
SCHEMBL1967471 0.92 CHRM5 (0.42) HCRTR1HCRTR2LPAR1LPAR5MAPT
SCHEMBL2407884 0.91 TP53 (0.42) HCRTR1HCRTR2GAALPAR1LPAR5
SCHEMBL1969317 0.91 HCRTR1 (0.43) HCRTR1HCRTR2GAALPAR1LPAR5
SCHEMBL1970040 0.89 HCRTR1 (0.38) HCRTR1HCRTR2GAALPAR1LPAR5
SCHEMBL1967329 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1969287 0.86 KDM4E (0.41) HCRTR1HCRTR2MAPTKMT2AMEN1
SCHEMBL1969373 0.85 LPAR1 (0.43) HCRTR1HCRTR2GAALPAR1LPAR5
SCHEMBL1969020 0.84 HCRTR1 (0.42) HCRTR1HCRTR2GAALPAR1LPAR5
SCHEMBL1967039 0.83 HCRTR1 (0.51) HCRTR1HCRTR2LPAR1LPAR5TSHR

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 4 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
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 1/4885GAA 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.