SCHEMBL10186452

SCHEMBL10186452

O=C(O)C[C@H]1CC[C@H](Oc2ccc(C(=O)NCCNC(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HRH3 Q9Y5N1 5/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ FABP2 P12104 1/20 0.43

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
SCHEMBL10186448 1.00 FAAH (0.47) FAAHEPHX2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10184281 0.88 KDM4E (0.47) FAAHEPHX2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10185038 0.88 KDM4E (0.47) FAAHEPHX2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10185421 0.87 DGAT1 (0.50) ALDH1A1SMN1; SMN2HRH3
SCHEMBL10186290 0.86 FFAR4 (0.46) EPHX2KMT2AHRH3FFAR4
SCHEMBL663535 0.85 DGAT1 (0.49) FAAHEPHX2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL663534 0.85 DGAT1 (0.49) FAAHEPHX2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10186133 0.85 DGAT1 (0.49) FAAHEPHX2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL660935 0.84 DGAT1 (0.55) ALDH1A1MEN1KMT2ARAB9ACYP1A2
SCHEMBL660936 0.84 DGAT1 (0.55) ALDH1A1MEN1KMT2ARAB9ACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 FAAH 1026/4885EPHX2 1718/4885ALDH1A1 963/4885

“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.

Send feedback