SCHEMBL1966608

SCHEMBL1966608

COC(=O)c1ncsc1-c1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HCRTR2 O43614 1/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
PKM P14618 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
RCE1 Q9Y256 1/20 0.40
POLQ O75417 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
THPO P40225 1/20 0.38
VHL P40337 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL14564446 0.84 KDM4E (0.49) KDM4EALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL1970247 0.84 KDM4E (0.61) KDM4EHCRTR2ALDH1A1LMNAPKM
SCHEMBL1338832 0.82 HSD17B10 (0.49) KDM4EHCRTR2ALDH1A1LMNAMAPT
SCHEMBL983034 0.79 PTGS1 (0.51) KDM4EALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL28122725 0.79 KDM4E (0.58) KDM4EALDH1A1LMNAPKMMAPT
SCHEMBL1340230 0.79 KDM4E (0.68) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1338395 0.78 CYP1A2 (0.61) KDM4EALDH1A1LMNAPKMMAPT
SCHEMBL983944 0.78 SLC6A3 (0.47) KDM4EHCRTR2LMNACYP1A2CYP3A4
SCHEMBL980971 0.78 ALDH1A1 (0.50) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL269966 0.77 KDM4E (0.52) KDM4EHCRTR2ALDH1A1LMNAPKM

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 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 KDM4E 452/4885HCRTR2 1/4885ALDH1A1 2292/4885

“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.