SCHEMBL4859205

SCHEMBL4859205

O=C(CCCCCN(CCc1cccc(F)c1)C(=O)O)c1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.49
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HRH1 P35367 2/20 0.46
DRD3 P35462 2/20 0.46
HTR6 P50406 2/20 0.46
KCNH2 Q12809 2/20 0.46
DRD1 P21728 1/20 0.46
ADRA1A P35348 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NAAA Q02083 1/20 0.41
MAPT P10636 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
SCHEMBL4863050 0.99 ACHE (0.49) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4858948 0.91 ACHE (0.55) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4850190 0.90 ACHE (0.56) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL13987291 0.89 HTR1A (0.49) ACHEHTR1ADRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL4852128 0.89 HTR1A (0.48) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4852522 0.89 ACHE (0.51) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL13987263 0.88 HTR1A (0.49) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4853267 0.88 ACHE (0.56) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL4861644 0.88 ACHE (0.44) ACHEHTR1ADRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL4853332 0.88 HTR1A (0.49) ACHEHTR1ADRD2HTR2AHTR2C

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 1/4885HTR1A 339/4885DRD2 837/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885HTR1A 339/4885DRD2 837/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885HTR1A 2226/4885DRD2 1417/4885

“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.