SCHEMBL938032

SCHEMBL938032

O=C1CCCN1Cc1ccc(Cl)nc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
CHRNA1 P02708 3/20 0.54
CHRNA7 P36544 3/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
ACACB O00763 1/20 0.51
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL7956805 0.97 L3MBTL1 (0.60) L3MBTL1CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL17479542 0.95 L3MBTL1 (0.63) L3MBTL1CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL7961750 0.84 CHRNA7 (0.56) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL11200681 0.83 L3MBTL1 (0.76) L3MBTL1HRH3ACACB
SCHEMBL7503846 0.82 CHRNA7 (0.59) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL13853395 0.82 L3MBTL1 (0.53) L3MBTL1HRH3ACACB
SCHEMBL18291700 0.82 L3MBTL1 (0.53) L3MBTL1CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL4747810 0.82 L3MBTL1 (0.53) L3MBTL1HRH3ACACB
SCHEMBL20255475 0.82 L3MBTL1 (0.53) L3MBTL1HRH3ACACB
SCHEMBL7956397 0.81 CHRNA7 (0.56) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4

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
WO-2016016131-A1 PESTICIDALLY ACTIVE CYCLIC ENAMINONES SYNGENTA PARTICIPATIONS AG (CH) 2016-02-04 WO disclosed
WO-2016016131-A1 PESTICIDALLY ACTIVE CYCLIC ENAMINONES SYNGENTA PARTICIPATIONS AG (CH) 2016-02-04 WO disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2475657-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-07-18 EP disclosed
CN-102471327-A Inhibitors of flaviviridae viruses GILEAD SCIENCES INC 2012-05-23 CN disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
US-6303638-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS, INCLUDING ALZHEIMER'S DISEASE, TOURETTE'S SYNDROME, COGNITIVE DYSFUNCTION E.G., DISORDERS OF ATTENTION, FOCUS AND CONCENTRATION, SUCH AS ATTENTION DEFICIT DISORDER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-10-16 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 L3MBTL1 3336/4885CHRNA1 4682/4885CHRNA7 4785/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 L3MBTL1 3336/4885CHRNA1 4682/4885CHRNA7 4785/4885

“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.