SCHEMBL4717013

SCHEMBL4717013

CC(C)(C)OC(=O)N1CCCC(=O)C1C(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
UCHL1 P09936 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 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
SCHEMBL3626968 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2HPGDNPC1UCHL1
SCHEMBL30439876 0.85 HSD17B10 (0.40) HSD17B10HPGDNPC1UCHL1ALDH1A1
SCHEMBL10296209 0.85 NPC1 (0.41) HSD17B10HPGDNPC1UCHL1ALDH1A1
SCHEMBL4147539 0.83 NPC1 (0.39) HSD17B10SMN1; SMN2NPC1UCHL1LMNA
SCHEMBL4397346 0.82 NPC1 (0.39) HSD17B10NPC1UCHL1ALDH1A1LMNA
SCHEMBL31603663 0.80 MEN1 (0.42) HSD17B10HPGDALDH1A1
SCHEMBL4766170 0.79 HSD17B10 (0.42) HSD17B10HPGDNPC1UCHL1ALDH1A1
SCHEMBL3805159 0.79 HSD17B10 (0.42) HSD17B10HPGDNPC1UCHL1ALDH1A1
SCHEMBL25342396 0.76 HSD17B10 (0.62) HSD17B10SMN1; SMN2HPGDNPC1UCHL1
SCHEMBL5420095 0.76 HSD17B10 (0.42) HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589969-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-08-13 EP disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1589969-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co. Inc. (US) 2005-11-02 EP disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 HSD17B10 474/4885SMN1; SMN2 4201/4885HPGD 1852/4885

“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.