SCHEMBL4861139

SCHEMBL4861139

COc1ccccc1CN(CCCCCC(=O)c1cc2c3c(c1)CCN3C(=O)CC2)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.46
TDP1 Q9NUW8 1/20 0.45
BCHE P06276 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4853237 0.99 TDP1 (0.46) ACHETDP1BCHECYP11B1CYP11B2
SCHEMBL4863002 0.93 TDP1 (0.44) ACHETDP1CYP11B1CYP11B2TP53
SCHEMBL4860680 0.92 TDP1 (0.45) ACHETDP1CYP11B1CYP11B2TP53
SCHEMBL4850264 0.90 ACHE (0.48) ACHETDP1BCHECHRM2CHRM1
SCHEMBL4852147 0.89 TDP1 (0.46) ACHETDP1CYP11B1CYP11B2TP53
SCHEMBL4852066 0.89 TDP1 (0.48) ACHETDP1BCHECYP11B1CYP11B2
SCHEMBL13987187 0.88 ACHE (0.52) ACHE
SCHEMBL4852295 0.88 ACHE (0.53) ACHETDP1
SCHEMBL4861867 0.87 ACHE (0.45) ACHETDP1
SCHEMBL4860235 0.87 TDP1 (0.42) ACHETDP1CYP11B1CYP11B2TP53

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 9 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-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 ACHE 1/4885TDP1 989/4885BCHE 23/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885TDP1 989/4885BCHE 23/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885TDP1 1472/4885BCHE 4/4885

“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.