SCHEMBL4861025

SCHEMBL4861025

Cn1c(=O)n(C)c2cc(C(=O)CCCCN(CCc3ccccc3OC(F)(F)F)C(=O)OC(C)(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
SLC6A3 Q01959 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GLA P06280 1/20 0.36
SLC6A2 P23975 1/20 0.35
HTT P42858 1/20 0.34
IDH1 O75874 2/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA14 Q9ULX7 1/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
PPARG P37231 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
SCHEMBL4858446 0.91 ALDH1A1 (0.40) DRD2SLC6A3ALDH1A1SMN1; SMN2GLA
SCHEMBL4859693 0.91 BRD4 (0.38) ALDH1A1SMN1; SMN2GLAHTTBRD4
SCHEMBL4850087 0.87 ACHE (0.40) ALDH1A1SMN1; SMN2GLAHTTBRD4
SCHEMBL13988028 0.87 ALDH1A1 (0.39) DRD2ALDH1A1SMN1; SMN2GLAHTT
SCHEMBL13988027 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GLAHTTKDM4E
SCHEMBL4857775 0.86 POLB (0.40) ALDH1A1SMN1; SMN2GLAHTTKDM4E
SCHEMBL4860067 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GLAHTTKDM4E
SCHEMBL4861351 0.83 DRD2 (0.38) DRD2SLC6A3SLC6A2
SCHEMBL4858044 0.82 THRB (0.44) ALDH1A1SMN1; SMN2GLAHTTIDH1
SCHEMBL4856758 0.82 BRPF1 (0.37) ALDH1A1SMN1; SMN2GLAHTTKDM4E

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 DRD2 837/4885SLC6A3 321/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 DRD2 837/4885SLC6A3 321/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE DRD2 1417/4885SLC6A3 329/4885ALDH1A1 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.