SCHEMBL1972116

SCHEMBL1972116

COc1ccc(CCN(CC2CC2)C(=O)c2ncsc2-c2cccc(Cl)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.45
HCRTR2 O43614 5/20 0.45
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTC4S Q16873 1/20 0.39
FBP1 P09467 1/20 0.39
MAPT P10636 1/20 0.39
OXTR P30559 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1967192 0.91 HCRTR1 (0.45) HCRTR1HCRTR2LMNASMN1; SMN2LTC4S
SCHEMBL1968841 0.91 HCRTR1 (0.45) HCRTR1HCRTR2HTR2AHTR2CHTR2B
SCHEMBL1964267 0.91 MAPT (0.45) MAPTCHRM5CHRM1CHRM3
SCHEMBL1967545 0.90 TP53 (0.44) HTR2AHTR2CHTR2BLMNAMAPT
SCHEMBL1968184 0.88 LTC4S (0.42) HCRTR1HCRTR2LMNASMN1; SMN2LTC4S
SCHEMBL1968244 0.86 HCRTR1 (0.51) HCRTR1HCRTR2HTR2AHTR2CHTR2B
SCHEMBL1969373 0.85 LPAR1 (0.43) HCRTR1HCRTR2HTR2AHTR2CHTR2B
SCHEMBL1968328 0.85 HCRTR2 (0.43) HCRTR1HCRTR2LTC4SOXTRCHRM1
SCHEMBL1970480 0.82 CHRM5 (0.42) LMNAMAPTCHRM5CHRM1CHRM3
SCHEMBL1967450 0.80 HCRTR1 (0.48) HCRTR1HCRTR2HTR2AHTR2CHTR2B

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 1/4885HTR2A 46/4885

“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.