SCHEMBL5532368

SCHEMBL5532368

CN1CCC(OC(=O)C2c3ccccc3Oc3ccccc32)C1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.59
CHRM3 P20309 4/20 0.59
CHRM2 P08172 3/20 0.59
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
CCR1 P32246 1/20 0.43

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
SCHEMBL10524998 0.76 CHRM2 (0.49) CHRM1CHRM3CHRM2TSHRKDM4E
SCHEMBL10523968 0.75 CHRM2 (0.51) CHRM1CHRM3CHRM2TSHRKDM4E
SCHEMBL7200244 0.74 CHRM3 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL3574604 0.74 CHRM3 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5
Trantelinium SCHEMBL29385462 0.74 APOBEC3A (0.53) CHRM1CHRM3CHRM2TSHRALDH1A1
SCHEMBL2596509 0.74 HDAC3 (0.61) CHRM1CHRM2TSHRCYP1A2CYP2C9
SCHEMBL11364232 0.73 CHRM2 (0.60) CHRM1CHRM3CHRM2KDM4EALDH1A1
Maleic Acid SCHEMBL11364479 0.72 HRH2 (0.67) CHRM1CHRM3CHRM2TSHRKDM4E
Maleic Acid SCHEMBL11370510 0.72 HRH2 (0.67) CHRM1CHRM3CHRM2TSHRKDM4E
Maleic Acid SCHEMBL11365197 0.72 HRH2 (0.67) CHRM1CHRM3CHRM2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US disclosed
US-7192978-B2 Pyrrolidinium derivatives ALMIRALL PRODESFARMA AG (CH) 2007-03-20 US disclosed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 US disclosed
EP-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 EP disclosed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 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 (2 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-20050282875-A1 Pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885CHRM2 2/4885
US-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885CHRM2 2/4885

“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.