SCHEMBL5199779

SCHEMBL5199779

Clc1ccc(OCCN2CCOCC2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
NPC1 O15118 2/20 0.60
RAB9A P51151 1/20 0.57
LTA4H P09960 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CYP1A2 P05177 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
MAPK1 P28482 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
SCN1A P35498 1/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN2A Q99250 1/20 0.54

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
SCHEMBL29495619 1.00 ALDH1A1 (0.65) ALDH1A1KDM4ENPC1RAB9ALTA4H
SCHEMBL3652838 0.88 ALDH1A1 (0.58) ALDH1A1KDM4ENPC1RAB9ALTA4H
SCHEMBL7417658 0.88 LTA4H (0.56) LTA4HHRH3
SCHEMBL27002771 0.85 MEN1 (0.56) ALDH1A1KDM4ELTA4HHRH3MAPK1
SCHEMBL27002892 0.84 KDM4E (0.60) ALDH1A1KDM4ENPC1RAB9ALTA4H
SCHEMBL20037920 0.82 NPC1 (0.60) ALDH1A1KDM4ENPC1RAB9ALTA4H
SCHEMBL4465091 0.82 PRKAB2 (0.61) ALDH1A1KDM4ENPC1RAB9ALTA4H
SCHEMBL16535859 0.82 TSHR (0.61) ALDH1A1KDM4ENPC1RAB9ALTA4H
SCHEMBL30586324 0.82 PRKAB2 (0.61) ALDH1A1KDM4ENPC1RAB9ALTA4H
SCHEMBL20037918 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1RAB9ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363668-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-11-17 US disclosed
EP-4017587-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114269430-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-01 CN disclosed
WO-2021032936-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032937-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032937-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032936-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
EP-3157920-B1 INDOLIZINE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-08-07 EP disclosed
EP-3157920-B1 INDOLIZINE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-08-07 EP disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 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 (5 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD ALDH1A1 2417/4885KDM4E 1542/4885NPC1 1870/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS ALDH1A1 2684/4885KDM4E 1992/4885NPC1 2454/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 ALDH1A1 204/4885KDM4E 806/4885NPC1 4055/4885
US-20220363668-A1 ENZYME INHIBITORS RNASE1, SERPINB1, CMA1 ALDH1A1 240/4885KDM4E 1059/4885NPC1 897/4885
US-20130252938-A1 Antibacterial Compounds STS, PGLS, PEPD ALDH1A1 2417/4885KDM4E 1542/4885NPC1 1870/4885

“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.