SCHEMBL20789917

SCHEMBL20789917

C=CCN(CC=C)c1ccc2c(Br)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.46
▸ GRM5 P41594 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SETDB1 Q15047 1/20 0.31
▸ DHFR P00374 2/20 0.31
▸ CRHR1 P34998 2/20 0.30

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
SCHEMBL1591908 0.76 NCF1 (0.52) BACE1
SCHEMBL27040551 0.74 BACE1 (0.55) BACE1GRM5KCNH2
SCHEMBL28415013 0.67 BACE1 (0.64) BACE1GRM5KCNH2
SCHEMBL8598709 0.65 KMT2A (0.40) KCNH2
SCHEMBL2706604 0.65 BACE1 (0.56) BACE1GRM5KCNH2
SCHEMBL3067674 0.64 BACE1 (1.00) BACE1GRM5KCNH2
SCHEMBL4953591 0.64 BACE1 (0.60) BACE1GRM5KCNH2
SCHEMBL707745 0.64 BACE1 (0.66) BACE1GRM5KCNH2
SCHEMBL29923580 0.64 BACE1 (0.60) BACE1GRM5KCNH2
SCHEMBL18995270 0.64 BACE1 (0.60) BACE1GRM5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3865474-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2021-08-18 — — EP disclosed
US-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2021-08-05 — — US disclosed
EP-3736270-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 — — EP disclosed
EP-3736267-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 — — EP disclosed
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-27 — — US disclosed
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-20 — — US disclosed
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-24 — — US disclosed
US-10844042-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-24 — — US disclosed
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 — — CN disclosed
EP-3736270-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-11-11 — — EP disclosed
EP-3736267-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-11-11 — — EP disclosed
US-10829473-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-10 — — US disclosed
EP-3681864-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2020-10-28 — — EP disclosed
US-20200277276-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2020-09-03 — — US disclosed
US-20200277273-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2020-09-03 — — US disclosed
US-20200277274-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2020-09-03 — — US disclosed
US-20200277275-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE GLOBAL LIMITED (BM) 2020-09-03 — — US disclosed
EP-3681864-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-07-22 — — EP disclosed
WO-2019053634-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2019-03-21 — — WO disclosed
US-20190077784-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2019-03-14 — — 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 (11 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-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-20200277275-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-10829473-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-20200277276-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-20200277274-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-20190077784-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-20200277273-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-10844042-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A BACE1 4514/4885GRM5 2919/4885KCNH2 518/4885

“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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