SCHEMBL5990945

SCHEMBL5990945

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

nearest known ligand 0.40

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 11)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 5/20 0.40
CHRM1 known ✓ P11229 4/20 0.40
CHRM3 known ✓ P20309 6/20 0.40
PABPC1 P11940 2/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KCNA5 P22460 1/20 0.38
REN P00797 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL5990950 1.00 CHRM2 (0.40) CHRM2CHRM1PABPC1BLMCHRM3
Bromide SCHEMBL5993115 0.81 CHRM3 (0.55) CHRM2CHRM1PABPC1BLMCHRM3
Bromide SCHEMBL5993121 0.81 CHRM3 (0.55) CHRM2CHRM1PABPC1BLMCHRM3
SCHEMBL4477349 0.79 CHRM3 (0.70) CHRM2CHRM1CHRM3
SCHEMBL4477348 0.79 CHRM3 (0.70) CHRM2CHRM1CHRM3
SCHEMBL9469983 0.76 ACHE (0.39) ALDH1A1
Bromide SCHEMBL4632234 0.76 CHRM3 (0.57) CHRM2CHRM1PABPC1BLMCHRM3
Bromide SCHEMBL4632228 0.76 CHRM3 (0.57) CHRM2CHRM1PABPC1BLMCHRM3
SCHEMBL138472 0.74 CHRM3 (0.68) CHRM2CHRM1PABPC1CHRM3SMN1; SMN2
SCHEMBL138471 0.74 CHRM3 (0.68) CHRM2CHRM1PABPC1CHRM3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160844-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2006-07-20 US claimed
US-20060160844-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2006-07-20 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 (1 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-20060160844-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 CHRM2 3/4885CHRM1 19/4885CHRM3 1/4885

“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.