SCHEMBL14801202

SCHEMBL14801202

COC12CNCC1CN(C(=O)O)C2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA7 P36544 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
SCHEMBL29963536 1.00 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14801203 1.00 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14801201 1.00 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16728437 0.81 NR1H2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16728438 0.80
SCHEMBL14801150 0.79
SCHEMBL14801151 0.79
SCHEMBL14801149 0.79
SCHEMBL29963571 0.77 SMN1; SMN2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18668699 0.77 SMN1; SMN2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353181-B1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-11 EP disclosed
US-10889588-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-01-12 US disclosed
US-10787459-B2 Bicyclic compounds as ATX inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-09-29 US disclosed
US-20200291038-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10738053-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-08-11 US disclosed
US-20200079779-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-03-12 US disclosed
EP-3353181-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
EP-3353180-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
US-20180208601-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-07-26 US disclosed
US-20180208602-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-07-26 US disclosed
EP-3071570-B1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER (US) 2018-06-20 EP disclosed
WO-2017050747-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 WO disclosed
WO-2017050732-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 WO disclosed
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 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 (10 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-20180208602-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN10, ATXN2L CHRNB2 34/4885CHRNA4 124/4885CHRNB4 52/4885
US-20200079779-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN10, ATXN2L CHRNB2 34/4885CHRNA4 124/4885CHRNB4 52/4885
US-10787459-B2 Bicyclic compounds as ATX inhibitors ATXN2, ATXN10, ATXN2L CHRNB2 63/4885CHRNA4 176/4885CHRNB4 83/4885
US-20180208601-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CHRNB2 108/4885CHRNA4 266/4885CHRNB4 183/4885
US-20150141402-A1 PURINE DERIVATIVES ADORA3, ADORA1, HPRT1 CHRNB2 3844/4885CHRNA4 2982/4885CHRNB4 3431/4885
US-20200291038-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CHRNB2 108/4885CHRNA4 266/4885CHRNB4 183/4885
US-10738053-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 CHRNB2 108/4885CHRNA4 266/4885CHRNB4 183/4885
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS CHRNB2 4816/4885CHRNA4 4478/4885CHRNB4 4708/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS CHRNB2 4816/4885CHRNA4 4478/4885CHRNB4 4708/4885
US-10889588-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 CHRNB2 108/4885CHRNA4 266/4885CHRNB4 183/4885

“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.