SCHEMBL4860596

SCHEMBL4860596

O=CCCCCN(CCc1cc(-c2ccc3c(c2)CCCO3)ccc1Cl)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
SLC6A9 P48067 1/20 0.36
FABP4 P15090 9/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
NOTUM Q6P988 1/20 0.33
FABP3 P05413 1/20 0.33
FABP5 Q01469 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL4857631 0.87 SLC6A9 (0.34) ERN1CTNNB1WNT3ASLC6A9FABP4
SCHEMBL4859640 0.85 NRP1 (0.30)
SCHEMBL4860897 0.81 DAGLA (0.34) FFAR4
SCHEMBL4858194 0.79 NRP1 (0.33)
SCHEMBL5577168 0.79 NPC1 (0.31)
SCHEMBL4861303 0.78 NPC1 (0.34) KEAP1NFE2L2
SCHEMBL4888439 0.78 NRP1 (0.35)
SCHEMBL4861430 0.77 CYP11B1 (0.43) NOTUM
SCHEMBL4860588 0.76 CTNNB1 (0.57) CTNNB1WNT3AFABP4KEAP1NFE2L2
SCHEMBL4853310 0.75

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 ERN1 3841/4885CTNNB1 2598/4885WNT3A 3076/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ERN1 3841/4885CTNNB1 2598/4885WNT3A 3076/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ERN1 4359/4885CTNNB1 4153/4885WNT3A 4058/4885

“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.