SCHEMBL138458

SCHEMBL138458

CN1[C@@H]2CC[C@H]1C[C@@H](CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 1.00
CHRM2 P08172 12/20 1.00
CHRM1 P11229 12/20 1.00
CCR3 P51677 1/20 0.45

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
SCHEMBL138459 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CCR3
SCHEMBL136414 0.89 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL136415 0.89 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL14401582 0.89 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL4779801 0.85 CHRM3 (0.74) CHRM3CHRM2CHRM1CCR3
SCHEMBL138422 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL138423 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL146114 0.84 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL146115 0.84 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL142223 0.83 CHRM3 (0.79) 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 327 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-10793559-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-06 US disclosed
US-20200206237-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2020-07-02 US disclosed
EP-1644397-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2006-04-12 EP disclosed
WO-2006015870-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-02-16 WO disclosed
US-20060019964-A1 Antiallergens; antiinflammatory agents; rhinitis; serotonin receptor antagonist GLAXO GROUP LIMITED (GB) 2006-01-26 US disclosed
WO-2006000398-A1 2,3-BENZOXAZIN DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
WO-2006000401-A1 SUBSTITUTED OXAZINES AS 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-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 (7 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-10793559-B2 Chemical compounds PIK3CA, PIK3CD, PIK3C2B CHRM3 3771/4885CHRM2 4440/4885CHRM1 4169/4885
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-20060019964-A1 Antiallergens; antiinflammatory agents; rhinitis; serotonin receptor antagonist HRH2, HRH4, HRH1 CHRM3 734/4885CHRM2 1361/4885CHRM1 1028/4885
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
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B CHRM3 4226/4885CHRM2 4504/4885CHRM1 4260/4885

“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.