SCHEMBL4858838

SCHEMBL4858838

COc1ccccc1CCN(CCCCC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
LMNA P02545 5/20 0.45
TP53 P04637 5/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4858566 0.92 TSHR (0.44) LMNAMAPTSMN1; SMN2
SCHEMBL4859150 0.91 THRB (0.45) THRBLMNATP53MAPTRAB9A
SCHEMBL4861455 0.90 ACHE (0.44) MAPT
SCHEMBL4858690 0.89 TSHR (0.46) LMNAMAPTSMN1; SMN2
SCHEMBL4858163 0.89 NPC1 (0.43) THRBTP53MAPTRAB9ASMN1; SMN2
SCHEMBL4851756 0.89 MAPT (0.44) THRBLMNATP53MAPT
SCHEMBL4859349 0.87 ACHE (0.47) MAPT
SCHEMBL4859675 0.86 ACHE (0.46) MAPT
SCHEMBL4860201 0.85 ACHE (0.43) MAPT
SCHEMBL13987447 0.85 THRB (0.51) THRBLMNATP53MAPTRAB9A

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 THRB 1908/4885LMNA 1921/4885TP53 4560/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 THRB 1908/4885LMNA 1921/4885TP53 4560/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE THRB 3542/4885LMNA 2218/4885TP53 4160/4885

“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.