SCHEMBL4855324

SCHEMBL4855324

O=C(CCCCN(CCc1ccccc1O)C(=O)O)c1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.49
TDP1 Q9NUW8 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HRH1 P35367 2/20 0.41
DRD3 P35462 2/20 0.41
HTR6 P50406 2/20 0.41
KCNH2 Q12809 2/20 0.41
DRD1 P21728 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ADRA1A P35348 1/20 0.39

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
SCHEMBL4850546 0.90 ACHE (0.50) ACHETDP1HTR1ADRD2HTR2A
SCHEMBL4860377 0.89 ACHE (0.49) ACHETDP1HTR1ADRD2HTR2A
SCHEMBL4850190 0.89 ACHE (0.56) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4862711 0.88 ACHE (0.45) ACHETDP1HTR1ADRD2HTR2A
SCHEMBL4858948 0.88 ACHE (0.55) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4859169 0.88 TDP1 (0.47) ACHETDP1CYP11B1CYP11B2
SCHEMBL4915998 0.88 ACHE (0.57) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4854929 0.87 TDP1 (0.47) ACHETDP1CYP11B1CYP11B2
SCHEMBL4853267 0.87 ACHE (0.56) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4857500 0.86 ACHE (0.45) ACHE

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 ACHE 1/4885TDP1 989/4885HTR1A 339/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885TDP1 989/4885HTR1A 339/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885TDP1 1472/4885HTR1A 2226/4885

“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.