SCHEMBL4850669

SCHEMBL4850669

Cn1c(=O)[nH]c2ccc(C(=O)CCCCN(CCc3ccc(O)cc3Cl)C(=O)OC(C)(C)C)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.35
PGR P06401 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
HTR6 P50406 1/20 0.32
B3GNT2 Q9NY97 1/20 0.31
HTR4 Q13639 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4856377 0.94 EPHX2 (0.34) MAOBS1PR1S1PR3HTR6HTR4
SCHEMBL13988031 0.91 MAOB (0.34) MAOBS1PR1S1PR3HTR6B3GNT2
SCHEMBL4858693 0.91 MAOB (0.38) MAOBPGRB3GNT2HTR4HDAC3
SCHEMBL4859593 0.87 HTR6 (0.35) S1PR1S1PR3HTR6HTR4
SCHEMBL13988033 0.85 HTR6 (0.34) S1PR1S1PR3HTR6HDAC3HDAC1
SCHEMBL4855139 0.85 EPHX2 (0.39) MAOBHTR4HDAC3HDAC1HDAC2
SCHEMBL4857622 0.82 EPHX2 (0.35) MAOBS1PR1S1PR3
SCHEMBL4852316 0.80 PDK1 (0.31) HTR4
SCHEMBL6034829 0.79 PGR (0.39) MAOBPGRB3GNT2
SCHEMBL4857687 0.79 PDK1 (0.31) HTR4

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 MAOB 248/4885PGR 4161/4885S1PR1 1818/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAOB 248/4885PGR 4161/4885S1PR1 1818/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAOB 108/4885PGR 3759/4885S1PR1 3043/4885

“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.