SCHEMBL4859593

SCHEMBL4859593

Cn1c(=O)n(C)c2cc(C(=O)CCCCN(CCc3ccc(O)cc3Cl)C(=O)OC(C)(C)C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
GLA P06280 1/20 0.32
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
HTR4 Q13639 1/20 0.30
FGFR4 P22455 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL13988017 0.91 HTR6 (0.36) HTR6SMN1; SMN2ALDH1A1KDM4EBRD4
SCHEMBL4857775 0.91 POLB (0.40) SMN1; SMN2ALDH1A1KDM4EBRD4BRPF1
SCHEMBL4862303 0.88 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EBRD4BRPF1
SCHEMBL4850669 0.87 MAOB (0.35) HTR6S1PR1S1PR3HTR4
SCHEMBL4856377 0.87 EPHX2 (0.34) HTR6SMN1; SMN2S1PR1S1PR3HTR4
SCHEMBL13988028 0.86 ALDH1A1 (0.39) HTR6SMN1; SMN2ALDH1A1KDM4EBRD4
SCHEMBL13988027 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EBRD4BRPF1
SCHEMBL4857687 0.83 PDK1 (0.31) HTR4
SCHEMBL4859693 0.83 BRD4 (0.38) SMN1; SMN2ALDH1A1BRD4BRPF1GLA
SCHEMBL4860067 0.83 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4EBRD4BRPF1

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 8 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-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 HTR6 798/4885SMN1; SMN2 1472/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HTR6 798/4885SMN1; SMN2 1472/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HTR6 1364/4885SMN1; SMN2 1418/4885ALDH1A1 212/4885

“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.