SCHEMBL4861454

SCHEMBL4861454

COc1ccccc1CCN(CCCCC(=O)c1ccc2c(c1)CCN2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.56
MBTPS1 Q14703 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCHE P06276 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
F10 P00742 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL4861958 0.90 ACHE (0.55) ACHEMBTPS1ALDH1A1CYP2C9ALOX15
SCHEMBL4851846 0.88 DRD3 (0.44) ACHEALOX15
SCHEMBL27611330 0.83 ACHE (0.58) ACHEALDH1A1CYP2C9ALOX15CYP2C19
SCHEMBL13987377 0.83 ACHE (0.58) ACHEALDH1A1CYP2C9ALOX15CYP2C19
SCHEMBL4861455 0.82 ACHE (0.44) ACHE
Hydrochloric Acid SCHEMBL4850161 0.82 ACHE (0.57) ACHEALDH1A1CYP2C9ALOX15CYP2C19
SCHEMBL4858566 0.80 TSHR (0.44) ALDH1A1
SCHEMBL4859349 0.80 ACHE (0.47) ACHEBCHE
SCHEMBL4858838 0.79 THRB (0.47)
SCHEMBL4861293 0.79 CTNNB1 (0.58) ALDH1A1

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 1/4885MBTPS1 1367/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885MBTPS1 1367/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885MBTPS1 1602/4885ALDH1A1 212/4885

“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.