SCHEMBL4889684

SCHEMBL4889684

CN1Cc2cc(C(=O)CCCCCl)ccc2N(C)S1(O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.39
ACHE P22303 6/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL4889668 0.88 MCHR1 (0.36) MCHR1ACHEKDM4EL3MBTL1TSHR
SCHEMBL4889533 0.82 HSD17B3 (0.36) MCHR1ACHEL3MBTL1TSHR
SCHEMBL4858109 0.81 ACHE (0.38) MCHR1ACHEKDM4EL3MBTL1TSHR
SCHEMBL4859534 0.78 BRD4 (0.40) MCHR1ACHEKDM4EL3MBTL1TSHR
Hydrochloric Acid SCHEMBL4887555 0.78 MCHR1 (0.37) MCHR1ACHEKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL4891123 0.78 MCHR1 (0.37) MCHR1ACHEKDM4EL3MBTL1
SCHEMBL4889528 0.75 HSD17B3 (0.36) ACHEL3MBTL1TSHR
SCHEMBL4856652 0.73 CYP11B2 (0.40) MCHR1ACHEKDM4EL3MBTL1
SCHEMBL28753567 0.71 HSD17B3 (0.37) L3MBTL1
SCHEMBL4857963 0.71 ALDH1A1 (0.61) KDM4ETSHR

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 MCHR1 1502/4885ACHE 1/4885KDM4E 3792/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MCHR1 1502/4885ACHE 1/4885KDM4E 3792/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MCHR1 2885/4885ACHE 1/4885KDM4E 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.