SCHEMBL4915875

SCHEMBL4915875

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
HTR4 Q13639 3/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CPB2 Q96IY4 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
ACHE P22303 2/20 0.31
BCHE P06276 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
DRD2 P14416 2/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL4915878 0.93 AGTR1 (0.34) MCHR1AGTR1AGTR2HTR4HSP90AA1
SCHEMBL4887165 0.88 TAAR1 (0.33) MCHR1ACHEBCHETAAR1DRD2
SCHEMBL6036076 0.85 TAAR1 (0.37) MCHR1HSP90AA1HSP90AB1ACHEBCHE
Hydrochloric Acid SCHEMBL4880703 0.84 TAAR1 (0.36) MCHR1HSP90AA1HSP90AB1ACHEBCHE
SCHEMBL13988037 0.83 HDAC1 (0.32) HSP90AA1HSP90AB1HDAC3HDAC1HDAC2
SCHEMBL4861199 0.82 MCHR1 (0.38) MCHR1HSP90AA1HSP90AB1ACHEDRD2
SCHEMBL4909869 0.82 ACHE (0.33) MCHR1HTR4HSP90AA1HSP90AB1S1PR1
SCHEMBL4857775 0.82 POLB (0.40) MCHR1AGTR1AGTR2HTR4HSP90AA1
SCHEMBL4887171 0.81 TAAR1 (0.33) MCHR1ACHEBCHETAAR1DRD2
SCHEMBL4861390 0.80 MCHR1 (0.43) MCHR1

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 MCHR1 1502/4885AGTR1 17/4885AGTR2 54/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MCHR1 1502/4885AGTR1 17/4885AGTR2 54/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MCHR1 2885/4885AGTR1 33/4885AGTR2 36/4885

“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.