SCHEMBL4857775

SCHEMBL4857775

Cn1c(=O)n(C)c2cc(C(=O)CCCCN(CCc3ccccc3Cl)C(=O)OC(C)(C)C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CMA1 P23946 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL4859593 0.91 HTR6 (0.35) POLBALDH1A1SMN1; SMN2GLAHTT
SCHEMBL13988027 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GLAHTTKDM4E
SCHEMBL13988028 0.90 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2GLAHTT
SCHEMBL4859693 0.89 BRD4 (0.38) ALDH1A1SMN1; SMN2GLAHTTBRD4
SCHEMBL4860067 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GLAHTTKDM4E
SCHEMBL4862399 0.88 ALDH1A1 (0.44) POLBALDH1A1SMN1; SMN2GLAHTT
SCHEMBL4855139 0.86 EPHX2 (0.39) SMN1; SMN2HTR4
SCHEMBL4861025 0.86 DRD2 (0.36) ALDH1A1SMN1; SMN2GLAHTTKDM4E
SCHEMBL4858693 0.86 MAOB (0.38) SMN1; SMN2HTR4ROCK2
SCHEMBL4850087 0.85 ACHE (0.40) ALDH1A1SMN1; SMN2GLAHTTBRD4

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 POLB 1937/4885ALDH1A1 118/4885SMN1; SMN2 1472/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 POLB 1937/4885ALDH1A1 118/4885SMN1; SMN2 1472/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE POLB 1453/4885ALDH1A1 212/4885SMN1; SMN2 1418/4885

“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.