SCHEMBL21901192

SCHEMBL21901192

Cc1cc(Nc2cc3c(C)n[nH]c3cc2C#CC(C)C)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.43
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
LRRK2 Q5S007 10/20 0.38
TDO2 P48775 2/20 0.35
IDO1 P14902 1/20 0.35
TRPA1 O75762 2/20 0.34
LMNA P02545 1/20 0.34
KDR P35968 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
SCHEMBL21901867 0.92 GRM4 (0.43) GRM4GAAGFERLRRK2TDO2
SCHEMBL21901257 0.81 GRM4 (0.39) GRM4GAAGFERTDO2IDO1
SCHEMBL29535923 0.81 GRM4 (0.39) GRM4GAAGFERTDO2IDO1
SCHEMBL21901151 0.81 GRM4 (0.39) GRM4GAAGFERTDO2IDO1
SCHEMBL21900972 0.79 GRM4 (0.37) GRM4GAAGFERLRRK2TDO2
SCHEMBL30177011 0.72 MAOB (0.42) GRM4TRPA1KDR
SCHEMBL21901152 0.71 GAA (0.35) GRM4GAAGFERTDO2LMNA
SCHEMBL21901186 0.70 ADORA2A (0.40)
SCHEMBL22688273 0.67 LRRK2 (0.38) LRRK2
SCHEMBL22688397 0.67 LRRK2 (0.38) GRM4LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-11623924-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-11 US disclosed
CN-113164761-A Modulators of alpha-1 antitrypsin 弗特克斯药品有限公司 2021-07-23 CN disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 WO 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 (3 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-11623924-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINA3, SERPINB1 GRM4 4671/4885GAA 142/4885GFER 2732/4885
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 GRM4 4671/4885GAA 142/4885GFER 2732/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 GRM4 4671/4885GAA 142/4885GFER 2732/4885

“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.