SCHEMBL10184298

SCHEMBL10184298

COC(=O)C[C@H]1CC[C@H](c2ccc(C(=O)NCCN)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP2C9 P11712 1/20 0.43
▸ DGAT1 O75907 10/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL10184848 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL10186102 0.84 RAB9A (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL10186118 0.83 LMNA (0.48) LMNAMAPTCYP1A2TSHRNFKB1
SCHEMBL14984455 0.83 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHDAC3CYP2C9
SCHEMBL10184275 0.83 HPGD (0.54) ALDH1A1LMNAMAPTSMN1; SMN2HDAC1
SCHEMBL10186109 0.82 HDAC3 (0.47) ALDH1A1CYP1A2HDAC3DGAT1SMN1; SMN2
SCHEMBL10184835 0.81 HPGD (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL15043518 0.80 ALDH1A1 (0.48) ALDH1A1LMNAMAPTHDAC3MEN1
SCHEMBL14984444 0.80 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTSHRMEN1
SCHEMBL434831 0.80 ALDH1A1 (0.48) ALDH1A1LMNAMAPTCYP2C9DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 — — 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 ALDH1A1 963/4885LMNA 2889/4885MAPT 2628/4885

“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.

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