SCHEMBL4860073

SCHEMBL4860073

Cn1c(=O)n(C)c2cc(-c3cccc(CCN(CCCCC=O)C(=O)OC(C)(C)C)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.35
CA14 Q9ULX7 1/20 0.32
HTR4 Q13639 1/20 0.32
MAPK14 Q16539 3/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
BRD4 O60885 2/20 0.32
KCNA5 P22460 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FGFR4 P22455 1/20 0.31
FSHR P23945 2/20 0.31
NR1H2 P55055 1/20 0.31
THRB P10828 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4860773 0.87 MAPK1 (0.39) GRM2MAPK14PKMMAPK1BRD4
SCHEMBL4859701 0.84 BRD4 (0.40) GRM2CA14HTR4BRD4ALDH1A1
SCHEMBL4850092 0.83 BRD4 (0.40) HTR4BRD4ALDH1A1FGFR4THRB
SCHEMBL4861031 0.82 CA14 (0.34) CA14BRD4
SCHEMBL4856763 0.80 TP53 (0.33) CA14ALDH1A1TP53
SCHEMBL4861372 0.78 HTT (0.36) HTR4PKMBRD4
SCHEMBL4858788 0.77 CYP11B1 (0.42)
SCHEMBL4860067 0.76 ALDH1A1 (0.42) PKMMAPK1BRD4ALDH1A1THRB
SCHEMBL4855039 0.76 PPARG (0.37) HTR4BRD4ALDH1A1
SCHEMBL5982136 0.75 HDAC1 (0.39) BRD4

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 GRM2 778/4885CA14 2165/4885HTR4 1426/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 GRM2 778/4885CA14 2165/4885HTR4 1426/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE GRM2 1209/4885CA14 1367/4885HTR4 2227/4885

“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.