SCHEMBL2697743

SCHEMBL2697743

OCCNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.55
HTT P42858 1/20 0.47
DPP4 P27487 3/20 0.43
EPHX1 P07099 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL1150778 1.00 EPHX2 (0.55) EPHX2HTTDPP4EPHX1GRIN2D
SCHEMBL19798760 0.86 EPHX2 (0.58) EPHX2HTTDPP4
SCHEMBL4602824 0.85 DPP4 (0.50) EPHX2HTTDPP4EPHX1GRIN2D
SCHEMBL3188537 0.85 GRIN2D (0.50) EPHX2DPP4EPHX1GRIN2DGRIN3B
SCHEMBL1082075 0.80 EPHX2 (0.50) EPHX2HTTDPP4EPHX1GRIN2D
SCHEMBL11150971 0.77 EPHX2 (0.52) EPHX2HTTEPHX1GRIN2DGRIN3B
SCHEMBL25475057 0.76 GRIN2D (0.42) EPHX2DPP4EPHX1GRIN2DGRIN3B
SCHEMBL1070781 0.76 GRIN2D (0.44) EPHX2DPP4EPHX1GRIN2DGRIN3B
SCHEMBL60897 0.76 GRIN2D (0.48) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9298883 0.74 HTT (0.58) EPHX2HTTDPP4EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078518-B1 A NEW P-CHLOROPHENOXYACETIC ACID DERIVATIVE, ITS METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A. (ES) 1985-01-30 EP claimed
EP-2632929-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2013-09-04 EP disclosed
WO-2012056419-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2012-05-03 WO disclosed
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use BASF SE (DE) 2012-05-03 US disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
EP-0078518-B1 A NEW P-CHLOROPHENOXYACETIC ACID DERIVATIVE, ITS METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A. (ES) 1985-01-30 EP disclosed
EP-0029658-A1 Salts of dihalo-2-quinoxaline carboxylic acids, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1981-06-03 EP disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT EPHX2 1794/4885HTT 3/4885DPP4 1045/4885
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use CYCS, CYC1, CBR1 EPHX2 329/4885HTT 257/4885DPP4 4862/4885

“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.