SCHEMBL4887165

SCHEMBL4887165

CN1c2ccc(C(=O)CCCCN(CCc3ccccc3Cl)C(=O)O)cc2N(C)S1(O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
MCHR1 Q99705 1/20 0.33
ACHE P22303 3/20 0.33
BCHE P06276 2/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
HIF1A Q16665 1/20 0.32
DPP4 P27487 1/20 0.32
AOC3 Q16853 1/20 0.32
TAS2R14 Q9NYV8 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
SCHEMBL4887171 0.93 TAAR1 (0.33) TAAR1MCHR1ACHEBCHEHTR1A
SCHEMBL6036076 0.89 TAAR1 (0.37) TAAR1MCHR1ACHEBCHEDRD2
SCHEMBL4915875 0.88 MCHR1 (0.33) TAAR1MCHR1ACHEBCHEHTR1A
Hydrochloric Acid SCHEMBL4880703 0.88 TAAR1 (0.36) TAAR1MCHR1ACHEBCHEHTR1A
SCHEMBL6034236 0.82 HIF1A (0.38) TAAR1MCHR1PLAAT3PLAAT5PLAAT2
SCHEMBL4915878 0.81 AGTR1 (0.34) TAAR1MCHR1ACHEBCHEHTR1A
SCHEMBL6036074 0.81 TAAR1 (0.37) TAAR1MCHR1ACHEBCHEDRD2
Hydrochloric Acid SCHEMBL4895011 0.81 HIF1A (0.38) TAAR1MCHR1PLAAT3PLAAT5PLAAT2
Hydrochloric Acid SCHEMBL4880698 0.80 TAAR1 (0.36) TAAR1MCHR1ACHEBCHEHTR1A
SCHEMBL4862399 0.80 ALDH1A1 (0.44) TAAR1ACHE

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 TAAR1 634/4885MCHR1 1502/4885ACHE 1/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885MCHR1 1502/4885ACHE 1/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TAAR1 1727/4885MCHR1 2885/4885ACHE 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.