Sugi Predict

Sugi Predict / Compounds / SCHEMBL10197496

SCHEMBL10197496

SCHEMBL10197496

COC(=O)CC1CCC(c2ccc(C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 12/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 3/20 0.42
▸ SOAT1 P35610 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL382897 0.88 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL382898 0.88 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL17327330 0.88 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL16985000 0.87 FFAR4 (0.42) DGAT1DRD2DRD4DRD3ESR1
SCHEMBL18763690 0.86 DGAT1 (0.51) DGAT1ALDH1A1LMNAMAPTDRD2
SCHEMBL16791007 0.86 DGAT1 (0.50) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL17327303 0.86 DGAT1 (0.51) DGAT1ALDH1A1LMNAMAPTDRD2
SCHEMBL4673308 0.86 DGAT1 (0.46) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL1399745 0.86 DGAT1 (0.51) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL28817040 0.86 IDO1 (0.56) DGAT1MAPTIDO1

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 3 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 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
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 — — 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 (2 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885ALDH1A1 1082/4885LMNA 3371/4885
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT DGAT1, GOT1, ACAT2 DGAT1 1/4885ALDH1A1 391/4885LMNA 2256/4885

“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.