SCHEMBL4862283

SCHEMBL4862283

COc1ccccc1CCN(CCCCC(=O)c1cc2c(c(S(=O)(=O)N(C)C)c1)OCC2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.36
BCHE P06276 6/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PDE4D Q08499 1/20 0.34
LMNA P02545 2/20 0.34
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13987723 0.92 BCHE (0.40) ACHEBCHEPTGS1PTGS2CHRM2
SCHEMBL4857094 0.92 PTGS1 (0.37) ACHEBCHEPTGS1PTGS2CHRM2
SCHEMBL4858874 0.91 ACHE (0.38) ACHEBCHEPTGS1PTGS2CHRM2
Hydrochloric Acid SCHEMBL4860055 0.91 BCHE (0.41) ACHEBCHEPTGS1PTGS2CHRM2
SCHEMBL5576976 0.91 ACHE (0.39) ACHEBCHEPTGS1PTGS2CHRM2
SCHEMBL4857343 0.90 PTGS1 (0.36) ACHEBCHEPTGS1PTGS2CHRM2
SCHEMBL4857388 0.89 PTGS1 (0.37) ACHEBCHEPTGS1PTGS2ALDH1A1
SCHEMBL4859802 0.88 NPSR1 (0.38) ACHEBCHEPTGS1PTGS2CHRM2
SCHEMBL13987199 0.87 CTNNB1 (0.38) ACHEBCHEPTGS1PTGS2CHRM2
SCHEMBL4858812 0.87 CTNNB1 (0.40) ACHEBCHEPTGS1PTGS2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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 (3 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885BCHE 23/4885PTGS1 211/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885BCHE 23/4885PTGS1 211/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885BCHE 4/4885PTGS1 417/4885

“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.