SCHEMBL4850684

SCHEMBL4850684

CC(=O)N1CCc2ccc(C(=O)CCCCCl)cc2CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.61
HRH3 Q9Y5N1 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46

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
SCHEMBL5432297 0.96 MCHR1 (0.62) MCHR1HRH3CTNNB1WNT3A
SCHEMBL4858086 0.93 MCHR1 (0.61) MCHR1HRH3
SCHEMBL8791373 0.85 MCHR1 (0.56) MCHR1HRH3CTNNB1WNT3A
SCHEMBL4859363 0.84 MCHR1 (0.63) MCHR1CTNNB1WNT3A
SCHEMBL4858111 0.84 ESR1 (0.47) MCHR1CTNNB1WNT3A
SCHEMBL7227360 0.83 MCHR1 (0.59) MCHR1
SCHEMBL4857615 0.82 MCHR1 (0.61) MCHR1HRH3CTNNB1WNT3A
SCHEMBL5328213 0.82 CTNNB1 (0.57) MCHR1CTNNB1WNT3A
SCHEMBL8790959 0.81 MCHR1 (0.69) MCHR1HRH3
SCHEMBL4857963 0.81 ALDH1A1 (0.61)

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 9 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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
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 MCHR1 1502/4885HRH3 1754/4885CTNNB1 2598/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MCHR1 1502/4885HRH3 1754/4885CTNNB1 2598/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MCHR1 2885/4885HRH3 2124/4885CTNNB1 4153/4885

“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.