SCHEMBL4106102

SCHEMBL4106102

c1ccc2c(CN3CCOCC3)cccc2c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 1/20 0.68
GAA P10253 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
ACHE P22303 1/20 0.62
MEN1 O00255 1/20 0.61
CYP2A13 Q16696 5/20 0.60
TSHR P16473 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CXCR4 P61073 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
OPRL1 P41146 1/20 0.52

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
SCHEMBL31392633 0.84 ACHE (0.68) ALDH1A1KDM4EKMT2AMAPTGAA
SCHEMBL3921135 0.84 ACHE (0.68) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL11193326 0.83 CYP2A13 (0.75) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL807336 0.82 ACHE (0.66) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL11887347 0.82 ACHE (0.66) ALDH1A1KDM4EKMT2AMAPTGAA
SCHEMBL31010166 0.82 ACHE (0.66) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL5307965 0.81 KDM4E (1.00) ALDH1A1KDM4EKMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL16825180 0.81 ACHE (0.64) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL28573071 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL21749173 0.80 KDM4E (0.59) ALDH1A1KDM4EKMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106377150-A Intelligent curtain control system based on technology of Internet of things and operation method thereof 江苏建筑职业技术学院 2017-02-08 CN claimed
US-10982337-B2 Corrosion inhibition SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2021-04-20 US disclosed
US-10982337-B2 Corrosion inhibition SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2021-04-20 US disclosed
US-20180312980-A1 CORROSION INHIBITION SCHLUMBERGER TECHNOLOGY CORPORATION 2018-11-01 US disclosed
EP-3365477-A1 CORROSION INHIBITION Services Petroliers Schlumberger (FR) 2018-08-29 EP disclosed
WO-2017070026-A1 CORROSION INHIBITION SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2017-04-27 WO disclosed
WO-2017070026-A1 CORROSION INHIBITION SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2017-04-27 WO disclosed
CN-106377150-A Intelligent curtain control system based on technology of Internet of things and operation method thereof 江苏建筑职业技术学院 2017-02-08 CN 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 (4 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 ALDH1A1 120/4885KDM4E 2221/4885KMT2A 1372/4885
US-20180312980-A1 CORROSION INHIBITION AOC2, CA1, MAOB ALDH1A1 622/4885KDM4E 3750/4885KMT2A 2894/4885
US-10982337-B2 Corrosion inhibition AOC2, CA1, MAOB ALDH1A1 622/4885KDM4E 3750/4885KMT2A 2894/4885
US-20140045851-A1 MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 CYP1A2, CYP2D6, CYP1A1 ALDH1A1 120/4885KDM4E 2221/4885KMT2A 1372/4885

“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.