SCHEMBL10148296

SCHEMBL10148296

COC(=O)C[C@H]1CC[C@@H](Oc2ccc(C(C)=O)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
MAOB P27338 4/20 0.43
MAOA P21397 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ACACB O00763 3/20 0.41
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
SCN9A Q15858 1/20 0.39
ACSL1 P33121 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
SCHEMBL10148299 0.91 HRH3 (0.45) HRH3FFAR4PTGS1PTGS2ACACB
SCHEMBL10184293 0.85 HRH3 (0.48) HRH3FFAR4PTGS1PTGS2ACACB
SCHEMBL10186399 0.84 CRBN (0.41) HRH3MAOBMAOAFFAR4PTGS1
SCHEMBL10148306 0.82 SCN9A (0.41) FFAR4ACACBSCN9A
SCHEMBL3846215 0.81 PTGS1 (0.59) HRH3MAOBMAOAFFAR4PTGS1
SCHEMBL10148325 0.81 ACACB (0.38) FFAR4ACACB
SCHEMBL10148307 0.80 SMN1; SMN2 (0.49) ACACBPARP10
SCHEMBL10186395 0.78 NR1H4 (0.44) HRH3
SCHEMBL10148311 0.77 NPC1 (0.46) HRH3MAOBMAOAPTGS1PTGS2
SCHEMBL12440598 0.77 EPHX2 (0.42) ACACBPARP10ACSL1

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 HRH3 2422/4885MAOB 2552/4885MAOA 1968/4885

“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.