SCHEMBL1971709

SCHEMBL1971709

COc1ccc(CCN(CC2CC2)C(=O)c2sc(C)nc2-c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORB Q92753 2/20 0.42
LTC4S Q16873 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
CTSA P10619 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLK1 P53350 1/20 0.38
PTGER1 P34995 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F7 P08709 1/20 0.37
SCD O00767 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL1966599 0.91 MAPT (0.40) KMT2AMAPTHCRTR1HCRTR2LMNA
SCHEMBL1968387 0.90 HCRTR1 (0.48) MAPTHCRTR1HCRTR2LMNASMN1; SMN2
SCHEMBL1967450 0.88 HCRTR1 (0.48) LTC4SMAPTHCRTR1HCRTR2LMNA
SCHEMBL1967996 0.86 HCRTR1 (0.46) LTC4SKMT2AMAPTHCRTR1HCRTR2
SCHEMBL1970593 0.85 HCRTR1 (0.42) LTC4SKDM4EKMT2AMAPTHCRTR1
SCHEMBL1970015 0.85 RORB (0.41) RORBLTC4SKMT2AMAPTCTSA
SCHEMBL1971191 0.84 LMNA (0.42) LTC4SKMT2AMAPTHCRTR1HCRTR2
SCHEMBL1969287 0.82 KDM4E (0.41) LTC4SKDM4ETDP1KMT2AMAPT
SCHEMBL1966986 0.81 HCRTR1 (0.45) LTC4SKDM4ETDP1KMT2AMAPT
SCHEMBL1968184 0.81 LTC4S (0.42) RORBLTC4SKDM4ETDP1KMT2A

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 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

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 RORB 740/4885LTC4S 2070/4885KDM4E 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.