SCHEMBL4861390

SCHEMBL4861390

CC(=O)N1CCc2cc(C(=O)CCCCN(CCc3ccccc3Cl)C(=O)OC(C)(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 9/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
ADRB2 P07550 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
NOTUM Q6P988 3/20 0.41
HSD17B10 Q99714 1/20 0.40
HSD17B3 P37058 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4857480 0.91 ALDH1A1 (0.41) MCHR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL13987987 0.91 ALDH1A1 (0.43) MCHR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL4858410 0.91 NOTUM (0.43) MCHR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL4854070 0.90 TRIM24 (0.43) ALDH1A1MAPTHPGDKDM4EPKM
SCHEMBL4858784 0.89 ALDH1A1 (0.45) ALDH1A1MAPTHPGDKDM4EPKM
SCHEMBL4861425 0.89 ALDH1A1 (0.46) MCHR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL13987176 0.88 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4EPKM
SCHEMBL13987390 0.86 ALDH1A1 (0.48) MCHR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL4861185 0.86 TRIM24 (0.45) ALDH1A1MAPTHPGDKDM4EPKM
SCHEMBL4861199 0.86 MCHR1 (0.38) MCHR1CYP11B1CYP11B2LMNA

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 1502/4885ALDH1A1 118/4885MAPT 1965/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MCHR1 1502/4885ALDH1A1 118/4885MAPT 1965/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MCHR1 2885/4885ALDH1A1 212/4885MAPT 1584/4885

“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.