SCHEMBL4858788

SCHEMBL4858788

CC(=O)N1CCc2cc(-c3cccc(CCN(CCCCC=O)C(=O)OC(C)(C)C)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.42
CYP11B2 P19099 7/20 0.42
HSD17B3 P37058 2/20 0.41
NOTUM Q6P988 3/20 0.38
TRIM24 O15164 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
RIPK1 Q13546 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4860321 0.88 CYP11B1 (0.48) CYP11B1CYP11B2HSD17B3NOTUMTRIM24
SCHEMBL4861394 0.86 NOTUM (0.39) CYP11B1CYP11B2HSD17B3NOTUM
SCHEMBL4854074 0.86 CYP11B1 (0.41) CYP11B1CYP11B2NOTUMTRIM24LMNA
SCHEMBL4861189 0.84 TRIM24 (0.43) CYP11B1CYP11B2NOTUMTRIM24LMNA
SCHEMBL4857483 0.82 HSD17B3 (0.39) CYP11B1CYP11B2HSD17B3NOTUM
SCHEMBL4862751 0.81 TP53 (0.43) CYP11B1CYP11B2NOTUMTRIM24LMNA
SCHEMBL4858419 0.81 CYP11B2 (0.36) CYP11B1CYP11B2HSD17B3NOTUM
SCHEMBL4857557 0.80 LMNA (0.42) CYP11B1CYP11B2TRIM24LMNAGAA
SCHEMBL4859154 0.78 THRB (0.41) CYP11B1CYP11B2TRIM24LMNA
SCHEMBL4858784 0.78 ALDH1A1 (0.45) NOTUMGAASMN1; SMN2

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 CYP11B1 615/4885CYP11B2 872/4885HSD17B3 647/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CYP11B1 615/4885CYP11B2 872/4885HSD17B3 647/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CYP11B1 698/4885CYP11B2 655/4885HSD17B3 625/4885

“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.