SCHEMBL138471

SCHEMBL138471

C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](C=C(c1ccccc1)c1ccccc1)C2.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 6/20 0.68
CHRM2 known ✓ P08172 4/20 0.44
CHRM1 known ✓ P11229 4/20 0.44
PTGS2 P35354 3/20 0.43
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL138472 1.00 CHRM3 (0.68) CHRM3CHRM2CHRM1PTGS2APOBEC3A
SCHEMBL2842262 0.85 CHRM3 (0.67) CHRM3CHRM2CHRM1PTGS2APOBEC3A
SCHEMBL2842263 0.85 CHRM3 (0.67) CHRM3CHRM2CHRM1PTGS2APOBEC3A
SCHEMBL3910006 0.84 CHRM3 (0.47) CHRM3PTGS2APOBEC3AAPOBEC3GALDH1A1
Bromide SCHEMBL141730 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
Bromide SCHEMBL4166137 0.77 CHRM3 (0.88) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
Bromide SCHEMBL4166138 0.77 CHRM3 (0.88) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
SCHEMBL9469983 0.77 ACHE (0.39) APOBEC3AAPOBEC3GALDH1A1CYP2C9
SCHEMBL5990950 0.74 CHRM2 (0.40) CHRM3CHRM2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL5990945 0.74 CHRM2 (0.40) CHRM3CHRM2CHRM1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10624898-B2 Compounds GLAXO GROUP LIMITED (GB) 2020-04-21 US disclosed
EP-3414228-B1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-18 EP disclosed
US-20200071311-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 US disclosed
US-20070043007-A1 Specific glucocorticosteroid compounds having anti-inflammatory activity GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20060293298-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-12-28 US disclosed
US-20060247219-A1 Specific glucocorticosteriod compound having anti-inflamatory activity GLAXO GROUP LIMITED (GB) 2006-11-02 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2006108699-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
US-20060178395-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2006-08-10 US disclosed
WO-2006062883-A2 MEDICAL COMBINATIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 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-10624898-B2 Compounds PIK3CA, PIK3CD, PIK3C3 CHRM3 4030/4885CHRM2 4500/4885CHRM1 4207/4885
US-20220324875-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3CB CHRM3 4065/4885CHRM2 4667/4885CHRM1 4329/4885
US-20060293298-A1 Compounds NQO1, OPRM1, CAT CHRM3 1901/4885CHRM2 2314/4885CHRM1 1558/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 CHRM3 4030/4885CHRM2 4500/4885CHRM1 4207/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB CHRM3 3764/4885CHRM2 4617/4885CHRM1 4447/4885
US-20060178395-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 19/4885
US-20060247219-A1 Specific glucocorticosteriod compound having anti-inflamatory activity NR3C1, NR3C2, MC2R CHRM3 225/4885CHRM2 280/4885CHRM1 135/4885
US-20200071311-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B CHRM3 3771/4885CHRM2 4440/4885CHRM1 4169/4885
US-20070043007-A1 Specific glucocorticosteroid compounds having anti-inflammatory activity NR3C2, NR3C1, NR5A1 CHRM3 737/4885CHRM2 1488/4885CHRM1 1415/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 CHRM3 3446/4885CHRM2 4347/4885CHRM1 4288/4885
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-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.