SCHEMBL4862737

SCHEMBL4862737

CC(C)(C)OC(=O)N(CCCCC=O)CCc1cccc(-c2cc3c(c(S(N)(=O)=O)c2)OCCO3)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.31
TLR8 Q9NR97 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL4851986 0.89 ALDH1A1 (0.32)
SCHEMBL4861427 0.86 NPC1 (0.32)
SCHEMBL4855052 0.85 ERN1 (0.33)
SCHEMBL4861372 0.83 HTT (0.36) HTR4
SCHEMBL4862735 0.79 SMN1; SMN2 (0.46)
SCHEMBL4851919 0.76 NRP1 (0.30)
SCHEMBL4853764 0.76 ERN1 (0.33)
SCHEMBL4860434 0.76 ERN1 (0.34)
SCHEMBL4853310 0.75
SCHEMBL4859560 0.75 HSD17B1 (0.32)

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 ADRB3 32/4885TLR8 4458/4885HTR4 1426/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ADRB3 32/4885TLR8 4458/4885HTR4 1426/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ADRB3 161/4885TLR8 4601/4885HTR4 2227/4885

“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.