SCHEMBL140398

SCHEMBL140398

CN1C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 1.00
CHRM2 P08172 9/20 1.00
CHRM1 P11229 9/20 1.00

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
SCHEMBL12794643 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL140397 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL5442971 0.94 CHRM3 (0.89) CHRM3CHRM2CHRM1
SCHEMBL5442969 0.94 CHRM3 (0.89) CHRM3CHRM2CHRM1
SCHEMBL10316364 0.86 CHRM3 (0.76) CHRM3CHRM2CHRM1
SCHEMBL12848293 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1
SCHEMBL10316390 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1
SCHEMBL12794683 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1
SCHEMBL10316373 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1
SCHEMBL3975039 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1

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 350 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677795-B1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-01-05 EP claimed
US-7276521-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-10-02 US claimed
US-20070105895-A1 Muscarinic acetycholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-05-10 US claimed
JP-2007508390-A 2007-04-05 JP claimed
EP-1677795-A4 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2006-12-27 EP claimed
EP-1677795-A1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-07-12 EP claimed
WO-2005037280-A1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-04-28 WO claimed
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-01-17 US disclosed
US-20220324875-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-13 US disclosed
CN-110785420-B Oxazepin derivatives as inhibitors of PI 3-kinase activity 葛兰素史克知识产权开发有限公司 2022-04-26 CN disclosed
EP-3612536-B1 OXEPINOPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3-KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2021-12-15 EP disclosed
EP-3260453-B1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LTD (GB) 2021-03-31 EP disclosed
US-10946025-B2 Compounds GLAXO GROUP LIMITED (GB) 2021-03-16 US disclosed
WO-2006000401-A1 SUBSTITUTED OXAZINES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
WO-2006000398-A1 2,3-BENZOXAZIN DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
WO-2005116037-A1 PURINE DERIVATIVE GLAXO GROUP LIMITED (GB) 2005-12-08 WO disclosed
WO-2005046586-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-05-26 WO disclosed
WO-2005037280-A1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
WO-2005005451-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed
WO-2005005452-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2005-01-20 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 (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-20220324875-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3CB CHRM3 4065/4885CHRM2 4667/4885CHRM1 4329/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 CHRM3 4030/4885CHRM2 4500/4885CHRM1 4207/4885
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity CDK3, CDK13, AKT3 CHRM3 1182/4885CHRM2 1917/4885CHRM1 1223/4885
US-20070105895-A1 Muscarinic acetycholine receptor antagonists CHRM3, CHRNA7, CHRNA2 CHRM3 1/4885CHRM2 7/4885CHRM1 19/4885

“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.