SCHEMBL4105367

SCHEMBL4105367

CC(c1ccccc1Cl)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.62
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 2/20 0.46
KCNA5 P22460 2/20 0.45
HTT P42858 1/20 0.45
CYP2A13 Q16696 2/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
HSD11B1 P28845 2/20 0.43
MGLL Q99685 1/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL31669185 0.84 OPRM1 (0.49) DPP4ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL15265126 0.82 OPRM1 (0.48) DPP4ALDH1A1POLBOPRM1OPRD1
SCHEMBL12248160 0.81 KCNA5 (0.46) DPP4ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL10783351 0.80 LMNA (0.47) DPP4ALDH1A1HTTCYP2A13
SCHEMBL7745378 0.79 DPP4 (0.46) DPP4ALDH1A1POLBKCNA5SMN1; SMN2
SCHEMBL16509737 0.79 DPP4 (0.75) DPP4ALDH1A1POLBOPRM1OPRD1
SCHEMBL13553401 0.78 P4HB (0.52) ALDH1A1POLBKCNA5HPGDTSHR
SCHEMBL8276869 0.77 DPP4 (1.00) DPP4ALDH1A1POLBOPRM1OPRD1
SCHEMBL14438349 0.76 DPP4 (0.66) DPP4ALDH1A1POLBHTTKDM5B
SCHEMBL22711434 0.76 DPP4 (0.47) DPP4ALDH1A1KCNA5CYP2A13TSHR

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
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 DPP4 4586/4885ALDH1A1 120/4885POLB 1863/4885
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 CYP1A2, CYP2D6, CYP1A1 DPP4 4586/4885ALDH1A1 120/4885POLB 1863/4885

“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.