SCHEMBL4488975

SCHEMBL4488975

CC(C)C1NC(=O)C=C1O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.33

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
SCHEMBL20043087 0.76 ABCB1 (0.34) ABCB1
SCHEMBL15357343 0.70
SCHEMBL19455945 0.70
SCHEMBL17079907 0.69 GAA (0.35)
SCHEMBL22238383 0.65
SCHEMBL17966435 0.65 ABCB1 (0.33) ABCB1
SCHEMBL13290576 0.63 ABCB1 (0.36) ABCB1
SCHEMBL6439632 0.63 ABCB1 (0.36) ABCB1
SCHEMBL6439630 0.63 ABCB1 (0.36) ABCB1
SCHEMBL13810229 0.61 ABCB1 (0.33) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523277-B1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE OVERSEAS SARL (LU) 2021-06-30 EP disclosed
WO-2019193062-A1 SUBSTITUTED PYRROLIDINES AND THEIR USE ABBVIE S.Á.R.L (LU) 2019-10-10 WO disclosed
US-10399940-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2019-09-03 US disclosed
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
US-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use GALAPAGOS NV (BE) 2018-04-12 US disclosed
WO-2018065921-A1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE S.Á.R.L. (LU) 2018-04-12 WO disclosed
US-20180099931-A1 Substituted Pyrrolidines and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-04-12 US disclosed
WO-2017177004-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE INC. (US) 2017-10-12 WO disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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 (5 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-20180099931-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 ABCB1 55/4885
US-10399940-B2 Substituted pyrrolidines and methods of use CFTR, PKD1, PKD2 ABCB1 52/4885
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 ABCB1 52/4885
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 ABCB1 3001/4885
US-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 ABCB1 1226/4885

“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.