SCHEMBL4857500

SCHEMBL4857500

O=C(CCCCN(CCc1c[nH]c2ccccc12)C(=O)O)c1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
MC5R P33032 12/20 0.45
MC3R P41968 12/20 0.45
MC4R P32245 10/20 0.45
TACR2 P21452 2/20 0.43

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
SCHEMBL4858334 0.88 ACHE (0.41) ACHEMC5RMC3RTACR2
SCHEMBL4855324 0.86 ACHE (0.49) ACHE
SCHEMBL13987575 0.85 ACHE (0.44) ACHE
Hydrochloric Acid SCHEMBL4860233 0.84 ACHE (0.43) ACHE
SCHEMBL4850190 0.84 ACHE (0.56) ACHE
SCHEMBL4850546 0.84 ACHE (0.50) ACHE
SCHEMBL4858948 0.83 ACHE (0.55) ACHE
SCHEMBL4915998 0.83 ACHE (0.57) ACHE
SCHEMBL4860377 0.83 ACHE (0.49) ACHE
SCHEMBL4853267 0.82 ACHE (0.56) 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 1/4885MC5R 3732/4885MC3R 3459/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885MC5R 3732/4885MC3R 3459/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885MC5R 3880/4885MC3R 3903/4885

“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.