SCHEMBL4860153

SCHEMBL4860153

CC(=O)N1CCc2cc(C(=O)CCCCN(CCc3ccc(O)cc3Cl)C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RECQL P46063 1/20 0.44
NOTUM Q6P988 4/20 0.43
MAPT P10636 8/20 0.42
ADRB2 P07550 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
MCHR1 Q99705 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 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
SCHEMBL4861545 0.91 NOTUM (0.47) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL4861425 0.90 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL4857480 0.89 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL13987749 0.83 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL4860314 0.83 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL4858566 0.81 TSHR (0.44) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL4858410 0.80 NOTUM (0.43) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL13987390 0.80 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL4861390 0.79 MCHR1 (0.43) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL4863227 0.79 ACHE (0.45) CYP11B1CYP11B2NPC1

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 ALDH1A1 118/4885HPGD 276/4885KDM4E 3792/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885HPGD 276/4885KDM4E 3792/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885HPGD 267/4885KDM4E 3707/4885

“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.