SCHEMBL1714890

SCHEMBL1714890

CC(I)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.50
EPHX1 P07099 1/20 0.50
GPR119 Q8TDV5 7/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DPP4 P27487 2/20 0.48
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
EED O75530 1/20 0.45

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
SCHEMBL24484595 0.87 HPGD (0.53) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL6974258 0.86 HPGD (0.55) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL4546601 0.86 HPGD (0.55) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL5341723 0.85 HPGD (0.54) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL470530 0.85 HPGD (0.54) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL387237 0.85 HPGD (0.54) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL4523020 0.85 HPGD (0.54) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL19450523 0.83 HPGD (0.53) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL8495308 0.83 HPGD (0.53) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL2258037 0.83 DPP4 (0.54) HPGDRECQLEPHX1GPR119MAPT

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
EP-3096754-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
WO-2015112441-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 WO disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 EP disclosed
US-6211183-B1 PIPERAZINE DERIVATIVE ANTICOAGULANTS; ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS COR THERAPEUTICS, INC. 2001-04-03 US disclosed
EP-0975625-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-02-02 EP disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
EP-0512831-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1999-09-22 EP disclosed
WO-1998046591-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1998-10-22 WO disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
US-5455243-A Anticoagulants MERCK & CO., INC. (US) 1995-10-03 US disclosed
US-5281585-A Secondary amide containing antagonist MERCK & CO., INC. (US) 1994-01-25 US disclosed
CN-1067883-A FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1993-01-13 CN disclosed
EP-0512831-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-11-11 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA HPGD 4285/4885RECQL 4243/4885EPHX1 4795/4885

“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.