SCHEMBL2976643

SCHEMBL2976643

COC(=O)C1NCCC1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 1/20 0.38
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PPM1B O75688 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PPP1CC P36873 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL883034 1.00 SLC1A2 (0.38) SLC1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL883035 1.00 SLC1A2 (0.38) SLC1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2428831 1.00 SLC1A2 (0.38) SLC1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19144063 1.00 SLC1A2 (0.38) SLC1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16277957 0.88 MEN1 (0.41) CHRM2CHRM4CHRM3MEN1BLM
SCHEMBL16277959 0.88 MEN1 (0.41) CHRM2CHRM4CHRM3MEN1BLM
Hydrochloric Acid SCHEMBL15174055 0.86 MEN1 (0.40) CHRM2CHRM4CHRM3ALDH1A1MEN1
Hydrochloric Acid SCHEMBL15174054 0.86 MEN1 (0.40) CHRM2CHRM4CHRM3ALDH1A1MEN1
SCHEMBL24039255 0.80 MAPK1 (0.37) SLC1A2CHRM2CHRM3
SCHEMBL28948795 0.80 CHRNB2 (0.40) SLC1A2CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 — — US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 — — US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 — — US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 — — US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 — — US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 — — US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SLC1A2 726/4885CHRNB2 1597/4885CHRNA4 2662/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SLC1A2 726/4885CHRNB2 1597/4885CHRNA4 2662/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SLC1A2 726/4885CHRNB2 1597/4885CHRNA4 2662/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SLC1A2 726/4885CHRNB2 1597/4885CHRNA4 2662/4885

“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.

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