SCHEMBL4861372

SCHEMBL4861372

COc1ccc(-c2cccc(CCN(CCCCC=O)C(=O)OC(C)(C)C)c2)cc1S(N)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
HTR4 Q13639 1/20 0.36
PKM P14618 1/20 0.35
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
HCRTR2 O43614 3/20 0.33
PDE4D Q08499 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
BRD4 O60885 1/20 0.33
HCRTR1 O43613 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL4862331 0.90 HTT (0.42) HTTPKMHTR7HTR1APDE4D
SCHEMBL4859879 0.89 PKM (0.36) HTTHTR4PKMBRD4CA12
SCHEMBL4855039 0.86 PPARG (0.37) HTR4PPARGPPARABRD4
SCHEMBL4861492 0.86 P2RX4 (0.34) HTR4PKMCA12CA2CA9
SCHEMBL4862737 0.83 ADRB3 (0.31) HTR4
SCHEMBL4855052 0.78 ERN1 (0.33)
SCHEMBL4859704 0.78 PKM (0.41) HTTPKMBRD4CA12CA2
SCHEMBL4860073 0.78 GRM2 (0.35) HTR4PKMBRD4
SCHEMBL4853764 0.77 ERN1 (0.33)
SCHEMBL4859859 0.77 NPSR1 (0.42) PKMHCRTR2ITGB3ITGAVHCRTR1

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 HTT 3012/4885HTR4 1426/4885PKM 3404/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HTT 3012/4885HTR4 1426/4885PKM 3404/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HTT 2558/4885HTR4 2227/4885PKM 3713/4885

“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.