SCHEMBL4886827

SCHEMBL4886827

O=C(CCCCCl)c1ccc2c(c1)CNS(=O)(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.34
HTR2A P28223 3/20 0.34
HTR7 P34969 3/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34
DRD4 P21917 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
MCHR1 Q99705 2/20 0.31
ACHE P22303 2/20 0.31
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLC6A4 P31645 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
SCHEMBL4886845 0.88 HTR1A (0.34) HTR1AHTR2AHTR7DRD3DRD2
SCHEMBL4891391 0.81 MAPT (0.35) L3MBTL1LMNAMAPTTDP1NPC1
SCHEMBL13987733 0.78 ACHE (0.37) HTR1AHTR2AHTR7DRD3DRD2
SCHEMBL4862485 0.77 ACHE (0.36) HTR1AHTR2AHTR7DRD3DRD2
SCHEMBL13987730 0.77 ACHE (0.37) MCHR1ACHEMAPTTDP1SLC6A4
Hydrochloric Acid SCHEMBL4881991 0.77 ACHE (0.37) HTR1AHTR2AHTR7DRD3DRD2
Hydrochloric Acid SCHEMBL4890518 0.76 ACHE (0.36) MCHR1ACHEMAPTTDP1SLC6A4
SCHEMBL4859709 0.76 PDE3B (0.44) HTR1AHTR2AHTR7DRD3DRD2
SCHEMBL13987731 0.73 ACHE (0.41) ACHE
SCHEMBL4891404 0.73 NPC1 (0.35) L3MBTL1LMNAMAPTTDP1NPC1

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 HTR1A 339/4885HTR2A 851/4885HTR7 624/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HTR1A 339/4885HTR2A 851/4885HTR7 624/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HTR1A 2226/4885HTR2A 1913/4885HTR7 1157/4885

“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.