SCHEMBL4115394

SCHEMBL4115394

Clc1cccc(CN2CCOCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.72
NCF1 P14598 1/20 0.66
PDE4B Q07343 2/20 0.60
HTT P42858 3/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59
NOS1 P29475 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RECQL P46063 1/20 0.57
CYP2A13 Q16696 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
Ammonia Solution, Strong SCHEMBL2931430 0.89 SIGMAR1 (0.58) SIGMAR1NCF1PDE4BHTTKDM4E
SCHEMBL11196105 0.87 NCF1 (0.83) NCF1HTTKDM4EALDH1A1HPGD
SCHEMBL29447340 0.84 SIGMAR1 (0.79) SIGMAR1HTTKDM4EALDH1A1HRH3
SCHEMBL20238106 0.84 SIGMAR1 (0.79) SIGMAR1HTTKDM4EALDH1A1GLA
SCHEMBL29668629 0.84 SIGMAR1 (0.79) SIGMAR1HTTKDM4EALDH1A1GLA
SCHEMBL3169406 0.84 SIGMAR1 (0.79) SIGMAR1HTTKDM4EALDH1A1HRH3
SCHEMBL1890670 0.82 SIGMAR1 (0.77) SIGMAR1HTTKDM4EALDH1A1HRH3
SCHEMBL5732659 0.82 SIGMAR1 (0.77) SIGMAR1HTTKDM4EALDH1A1HRH3
SCHEMBL29447362 0.82 SIGMAR1 (0.77) SIGMAR1HTTKDM4EALDH1A1HRH3
Hydrochloric Acid SCHEMBL9024294 0.81 NCF1 (0.69) SIGMAR1NCF1HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 EP disclosed
US-8962624-B2 Morpholines as selective inhibitors of cytochrome P450 2A13 UNIVERSITY OF KANSAS (US) 2015-02-24 US disclosed
US-8962624-B2 Morpholines as selective inhibitors of cytochrome P450 2A13 UNIVERSITY OF KANSAS (US) 2015-02-24 US disclosed
US-8962624-B2 Morpholines as selective inhibitors of cytochrome P450 2A13 UNIVERSITY OF KANSAS (US) 2015-02-24 US disclosed
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 UNIVERSITY OF KANSAS (US) 2014-02-13 US disclosed
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 UNIVERSITY OF KANSAS (US) 2014-02-13 US disclosed
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 UNIVERSITY OF KANSAS (US) 2014-02-13 US disclosed
US-8598165-B2 Morpholines as selective inhibitors of cytochrome P450 2A13 UNIVERSITY OF KANSAS (US) 2013-12-03 US disclosed
US-20090137592-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-28 US disclosed
US-20090137592-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-28 US disclosed
US-20090137592-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-28 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-20090137592-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 CYP1A2, CYP2D6, CYP1A1 SIGMAR1 610/4885NCF1 1776/4885PDE4B 1060/4885
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 CYP1A2, CYP2D6, CYP1A1 SIGMAR1 610/4885NCF1 1776/4885PDE4B 1060/4885

“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.