SCHEMBL5743595

SCHEMBL5743595

OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.46
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRM5 P41594 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2B6 P20813 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CHRM3 P20309 2/20 0.35
CHRM2 P08172 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
Ethane SCHEMBL27569967 0.96 KCNA3 (0.44) KCNA3LMNAL3MBTL1NPC1RAB9A
SCHEMBL2493505 0.89 KCNA3 (0.41) KCNA3LMNAL3MBTL1MAPTCYP2B6
SCHEMBL1528518 0.89 KCNA3 (0.41) KCNA3LMNAL3MBTL1MAPTCYP2B6
SCHEMBL5743652 0.88 CYP2D6 (0.43) KCNA3LMNAL3MBTL1NPC1RAB9A
SCHEMBL6951040 0.81 CYP2D6 (0.43) LMNAL3MBTL1GAAMAPTALDH1A1
SCHEMBL5744391 0.81 CYP2D6 (0.43) LMNAL3MBTL1GAAMAPTALDH1A1
SCHEMBL19614353 0.81 CYP2B6 (0.61) KCNA3LMNAL3MBTL1CYP2B6ATM
SCHEMBL9650536 0.80 CYP2B6 (0.46) LMNACYP2B6ALDH1A1CYP2D6SCN1A
SCHEMBL3760488 0.80 CHRM3 (0.45) LMNAL3MBTL1CYP2B6ATMALDH1A1
SCHEMBL15030843 0.80 ACHE (0.47) KCNA3LMNAGAACYP2B6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 WO disclosed
WO-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 WO disclosed
EP-1288198-B1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORP (JP) 2006-12-20 EP disclosed
US-6992205-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2006-01-31 US disclosed
US-6864372-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2005-03-08 US disclosed
US-6794519-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2004-09-21 US disclosed
US-20030176711-A1 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2003-09-18 US disclosed
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base KANEKA CORPORATION (JP) 2003-09-18 US disclosed
US-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-08-28 US disclosed
EP-1060162-B1 URETHANES DERIVED FROM AZACYCLOALKANES, THIO AND DITHIO ANALOGUES, PRODUCTION AND USE THEREOF AS 2,3 EPOXYSQUALENE LANESTEROL CYCLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-03-19 EP disclosed
EP-1288198-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-03-05 EP disclosed
US-6339096-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDAEMIAS, HYPERCHOLESTEROLAEMIAS AND ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-15 US disclosed
CN-1281434-A Urethanes derived from azacycloalkanes, thio and dithio analogues, production and use thereof as 2,3 epoxysqualene lanesterol cyclase inhibitors BOEHRINGER INGELHEIM PHARMA (DE) 2001-01-24 CN disclosed
EP-1060162-A1 URETHANES DERIVED FROM AZACYCLOALKANES, THIO AND DITHIO ANALOGUES, PRODUCTION AND USE THEREOF AS 2,3 EPOXYSQUALENE LANESTEROL CYCLASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
WO-1999029669-A1 URETHANES DERIVED FROM AZACYCLOALKANES, THIO AND DITHIO ANALOGUES, PRODUCTION AND USE THEREOF AS 2,3 EPOXYSQUALENE LANESTEROL CYCLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-17 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 (3 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-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS TST, STS, SELENOI KCNA3 2414/4885LMNA 3382/4885L3MBTL1 3101/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI KCNA3 2414/4885LMNA 3382/4885L3MBTL1 3101/4885
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base BRAF, ADH1C, TST KCNA3 1694/4885LMNA 2764/4885L3MBTL1 2186/4885

“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.