SCHEMBL16527729

SCHEMBL16527729

CCOc1ccc(C(=O)NCCC(=O)Nc2ccc([C@H]3CC[C@H](CC(=O)OC)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ DGAT1 O75907 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL16527728 1.00 HTT (0.51) HTTMAPTNPC1ALDH1A1KDM4E
SCHEMBL16527590 0.92 DGAT1 (0.51) MAPTNPC1ALDH1A1RAB9AMEN1
SCHEMBL16527591 0.92 DGAT1 (0.51) MAPTNPC1ALDH1A1RAB9AMEN1
SCHEMBL10186102 0.89 RAB9A (0.54) MAPTNPC1ALDH1A1RAB9AMEN1
SCHEMBL16527488 0.89 L3MBTL1 (0.47) HTTMAPTNPC1ALDH1A1KDM4E
SCHEMBL16542682 0.89 L3MBTL1 (0.47) HTTMAPTNPC1ALDH1A1KDM4E
SCHEMBL16527695 0.88 IDO1 (0.54) MAPTALDH1A1RAB9APOLB
SCHEMBL16527696 0.88 IDO1 (0.54) MAPTALDH1A1RAB9APOLB
SCHEMBL16527663 0.86 POLB (0.48) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16527662 0.86 POLB (0.48) MAPTALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 — — US claimed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 — — US claimed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 — — EP claimed
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 — — US disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 — — US disclosed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 — — EP 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-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT DGAT1, GOT1, ACAT2 HTT 3334/4885MAPT 1954/4885NPC1 277/4885

“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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