SCHEMBL3712356

SCHEMBL3712356

COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.80
TDP1 Q9NUW8 1/20 0.80
ALDH1A1 P00352 2/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 1/20 0.55
PSMB5 P28074 3/20 0.55
ATM Q13315 2/20 0.53
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL14357880 1.00 LMNA (0.80) LMNATDP1ALDH1A1THRBCYP2C9
SCHEMBL1692380 1.00 LMNA (0.80) LMNATDP1ALDH1A1THRBCYP2C9
SCHEMBL12578884 1.00 LMNA (0.80) LMNATDP1ALDH1A1THRBCYP2C9
SCHEMBL23221679 0.92 LMNA (0.66) LMNATDP1ALDH1A1THRBCYP2C9
SCHEMBL23221677 0.92 LMNA (0.66) LMNATDP1ALDH1A1THRBCYP2C9
SCHEMBL20865712 0.91 LMNA (0.76) LMNATDP1ALDH1A1PSMB5ATM
SCHEMBL19354974 0.91 LMNA (0.76) LMNATDP1ALDH1A1PSMB5ATM
SCHEMBL20865763 0.91 LMNA (0.76) LMNATDP1ALDH1A1PSMB5ATM
SCHEMBL13077323 0.91 LMNA (0.76) LMNATDP1ALDH1A1PSMB5ATM
SCHEMBL5948087 0.89 LMNA (0.63) LMNATDP1ALDH1A1GAAPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010106550-A2 A PROCESS FOR THE PREPARATION OF N-[[TRANS-4-(1-METHYLETHYL)CYCLOHEXYL]CARBONYL]-D-PHENYLALANINE NEULAND LABORATORIES LTD. (IN) 2010-09-23 WO claimed
US-7314955-B2 Form of N-(trans-4-isopropylcyclohexylcarbonyl)-D-phenylalanine BIOCON LIMITED 2008-01-01 US claimed
EP-1499586-A4 NOVEL FORM OF N-(TRANS-4-ISOPROPYLCYCLOHEXYLCARBONYL)-D-PHENYLALANINE BIOCON LTD (IN) 2006-01-18 EP claimed
US-20050165108-A1 reacting D-phenylalanine methylester HCl with trans-4-isopropylcyclohexane carboxylic acid in presence of propane phosphonic acid anhydride or LiOH Al2O3 in a halogenated hydrocarbon solvent such as dichloromethane or dichloroethane; type 2 diabetes mellitus BIOCON LTD 2005-07-28 US claimed
EP-1499586-A1 NOVEL FORM OF N-(TRANS-4-ISOPROPYLCYCLOHEXYLCARBONYL)-D-PHENYLALANINE Biocon Limited (IN) 2005-01-26 EP claimed
WO-2003093222-A1 NOVEL FORM OF N-(TRANS-4-ISOPROPYLCYCLOHEXYLCARBONYL)-D-PHENYLALANINE BIOCON LIMITED (IN) 2003-11-13 WO claimed
WO-2010106550-A2 A PROCESS FOR THE PREPARATION OF N-[[TRANS-4-(1-METHYLETHYL)CYCLOHEXYL]CARBONYL]-D-PHENYLALANINE NEULAND LABORATORIES LTD. (IN) 2010-09-23 WO disclosed
WO-2008096373-A2 PROCESS FOR SYNTHESIZING HIGHLY PURE NATEGLINIDE POLYMORPHS IND-SWIFT LABORATORIES LIMITED (IN) 2008-08-14 WO disclosed
US-7314955-B2 Form of N-(trans-4-isopropylcyclohexylcarbonyl)-D-phenylalanine BIOCON LIMITED 2008-01-01 US disclosed
WO-2007113650-A2 A NOVEL AND IMPROVED PROCESS FRO THE PREPARATION OF NATEGLINIDE AND ITS POLYMORPH FORM-H CADILA PHARMACEUTICALS LIMITED (IN) 2007-10-11 WO disclosed
EP-1499586-A4 NOVEL FORM OF N-(TRANS-4-ISOPROPYLCYCLOHEXYLCARBONYL)-D-PHENYLALANINE BIOCON LTD (IN) 2006-01-18 EP disclosed
US-20050165108-A1 reacting D-phenylalanine methylester HCl with trans-4-isopropylcyclohexane carboxylic acid in presence of propane phosphonic acid anhydride or LiOH Al2O3 in a halogenated hydrocarbon solvent such as dichloromethane or dichloroethane; type 2 diabetes mellitus BIOCON LTD 2005-07-28 US disclosed
EP-1499586-A1 NOVEL FORM OF N-(TRANS-4-ISOPROPYLCYCLOHEXYLCARBONYL)-D-PHENYLALANINE Biocon Limited (IN) 2005-01-26 EP disclosed
US-20040077725-A1 Crystalline form of N-(trans-4-isopropylcyclohexane carbonyl)-D-phenylalanine and process for preparation thereof DR. REDDY'S LABORATORIES LIMITED 2004-04-22 US disclosed
WO-2004020396-A1 CRYSTALLINE FORM OF NATEGLINIDE AND PROCESS FOR PREPARATION THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2004-03-11 WO disclosed
WO-2003093222-A1 NOVEL FORM OF N-(TRANS-4-ISOPROPYLCYCLOHEXYLCARBONYL)-D-PHENYLALANINE BIOCON LIMITED (IN) 2003-11-13 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-20040077725-A1 Crystalline form of N-(trans-4-isopropylcyclohexane carbonyl)-D-phenylalanine and process for preparation thereof TTR, PREP, PEPD LMNA 1099/4885TDP1 2055/4885ALDH1A1 4070/4885

“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.