SCHEMBL4851987

SCHEMBL4851987

CNS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2OC)C(=O)OC(C)(C)C)cc2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ACHE P22303 7/20 0.34
CTNNB1 P35222 3/20 0.33
WNT3A P56704 3/20 0.33
BCHE P06276 5/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4851584 0.92 NPSR1 (0.35) PTGS1PTGS2ACHECTNNB1WNT3A
SCHEMBL14513381 0.92 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL4857343 0.92 PTGS1 (0.36) PTGS1PTGS2ACHECTNNB1WNT3A
SCHEMBL4853757 0.91 PTGS1 (0.37) PTGS1PTGS2ACHECTNNB1WNT3A
SCHEMBL5313267 0.90 ACHE (0.38) PTGS1PTGS2ACHECTNNB1WNT3A
SCHEMBL4855552 0.90 PTGS1 (0.37) PTGS1PTGS2MEN1MAPK1KMT2A
SCHEMBL4857094 0.90 PTGS1 (0.37) PTGS1PTGS2ACHECTNNB1WNT3A
SCHEMBL5982519 0.89 BCHE (0.39) PTGS1PTGS2ACHECTNNB1WNT3A
Hydrochloric Acid SCHEMBL4855055 0.88 BCHE (0.40) PTGS1PTGS2ACHECTNNB1WNT3A
SCHEMBL4859550 0.87 CTNNB1 (0.38) PTGS1PTGS2ACHECTNNB1WNT3A

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 9 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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
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 PTGS1 211/4885PTGS2 610/4885ACHE 1/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PTGS1 211/4885PTGS2 610/4885ACHE 1/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PTGS1 417/4885PTGS2 474/4885ACHE 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.