SCHEMBL1966599

SCHEMBL1966599

COc1ccc(CCN(CC2CC2)C(=O)c2sc(C)nc2-c2ccc(C(F)(F)F)cc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.38
PDE4B Q07343 1/20 0.38
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARD Q03181 4/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GAA P10253 1/20 0.37
CXCR3 P49682 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1971709 0.91 RORB (0.42) MAPTLMNAHCRTR1HCRTR2KMT2A
SCHEMBL1967996 0.91 HCRTR1 (0.46) MAPTLMNAHCRTR1HCRTR2MEN1
SCHEMBL1970593 0.91 HCRTR1 (0.42) MAPTLMNAHCRTR1HCRTR2MEN1
SCHEMBL1971191 0.89 LMNA (0.42) MAPTLMNAHCRTR1HCRTR2MEN1
SCHEMBL1968387 0.85 HCRTR1 (0.48) MAPTLMNAHCRTR1HCRTR2
SCHEMBL1967450 0.84 HCRTR1 (0.48) MAPTLMNAHCRTR1HCRTR2NPSR1
SCHEMBL1966114 0.80 HCRTR1 (0.47) HCRTR1HCRTR2MEN1KMT2ANPSR1
SCHEMBL1971609 0.77 HCRTR1 (0.51) MAPTLMNAHCRTR1HCRTR2MEN1
SCHEMBL2405222 0.76 HCRTR1 (0.50) MAPTHCRTR1HCRTR2MEN1KMT2A
SCHEMBL1970052 0.76 HCRTR1 (0.48) MAPTLMNAHCRTR1HCRTR2MEN1

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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US 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 MAPT 1419/4885LMNA 2416/4885PDE4B 822/4885

“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.