SCHEMBL3898404

SCHEMBL3898404

CC(C)(C)OC(=O)C1CCCN1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
CASP3 P42574 1/20 0.40
NPC1 O15118 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ROCK2 O75116 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
DPP4 P27487 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL23999544 1.00 HSD17B10 (0.41) HSD17B10CASP3NPC1HRH3LMNA
SCHEMBL694642 0.95 ALDH1A1 (0.40) HSD17B10CASP3NPC1HRH3HPGD
SCHEMBL16826921 0.89 HRH3 (0.40) HSD17B10CASP3NPC1HRH3HPGD
SCHEMBL8490471 0.80 HSD17B10 (0.42) HSD17B10CASP3NPC1HRH3LMNA
SCHEMBL14938657 0.80 CASP3 (0.43) HSD17B10CASP3NPC1HRH3LMNA
SCHEMBL2677782 0.80 HSD17B10 (0.42) HSD17B10CASP3NPC1HRH3LMNA
SCHEMBL7362291 0.80 HSD17B10 (0.42) HSD17B10CASP3NPC1HRH3LMNA
SCHEMBL31016714 0.80 HSD17B10 (0.42) HSD17B10CASP3NPC1HRH3LMNA
SCHEMBL12084380 0.80 HSD17B10 (0.42) HSD17B10CASP3NPC1HRH3LMNA
SCHEMBL4737546 0.79 POLB (0.47) SMN1; SMN2ALDH1A1MAPT

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015104602-A2 A PROCESS FOR THE PREPARATION OF ANAGLIPTIN AND ITS INTERMEDIATES THEREOF WOCKHARDT LIMITED (IN) 2015-07-16 WO claimed
WO-2015150887-A1 PROCESS FOR THE PREPARATION OF ANAGLIPTIN OR ITS SALTS WOCKHARDT LIMITED (IN) 2015-10-08 WO disclosed
WO-2015104602-A2 A PROCESS FOR THE PREPARATION OF ANAGLIPTIN AND ITS INTERMEDIATES THEREOF WOCKHARDT LIMITED (IN) 2015-07-16 WO disclosed
CN-101312967-B As 5-HT4Carbamate compounds of receptor agonists THERAVANCE INC 2011-08-24 CN disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
CN-101312967-A As 5-HT4Carbamate compounds of receptor agonists THERAVANCE INC (US) 2008-11-26 CN disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
CN-100374438-C Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES INC (US) 2008-03-12 CN disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
CN-1157611-A Novel quinolone 5- (N-heterosubstituted amino) antimicrobial agents PROCTER & GAMBLE (US) 1997-08-20 CN disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed
EP-0666853-A1 ANTIMICROBIAL 5-HYDRAZINO-QUINOLONE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1995-08-16 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 (4 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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 HSD17B10 1543/4885CASP3 2489/4885NPC1 1671/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HSD17B10 1947/4885CASP3 831/4885NPC1 782/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE HSD17B10 1111/4885CASP3 3046/4885NPC1 1365/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HSD17B10 1947/4885CASP3 831/4885NPC1 782/4885

“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.