SCHEMBL4861459

SCHEMBL4861459

COc1ccc(-c2ccc3c(c2)CCN3C)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 6/20 0.34
PDE10A Q9Y233 1/20 0.34
TRIM24 O15164 2/20 0.33
HSD17B1 P14061 1/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NOTUM Q6P988 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL4858572 0.90 CYP11B1 (0.44) S1PR1TRIM24CYP11B1CYP11B2NOTUM
SCHEMBL4859365 0.90 NOTUM (0.35) MEN1KMT2AS1PR1TRIM24HSD17B1
SCHEMBL4860206 0.89 S1PR1 (0.40) S1PR1
SCHEMBL4858843 0.87 THRB (0.44) TRIM24CYP11B1CYP11B2
SCHEMBL4859687 0.87 ADRB3 (0.38) MEN1KMT2ASIGMAR1
SCHEMBL4858694 0.86 TRIM24 (0.46) TRIM24CYP11B1CYP11B2NOTUM
SCHEMBL4851761 0.86 TRIM24 (0.36) MEN1KMT2AS1PR1TRIM24CYP11B1
SCHEMBL4858164 0.85 DGAT1 (0.46) TRIM24
SCHEMBL4861457 0.81 ACHE (0.35) MEN1KMT2AS1PR1HSD17B1
SCHEMBL4851559 0.80 NOTUM (0.41) S1PR1TRIM24CYP11B1CYP11B2NOTUM

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 MEN1 2484/4885KMT2A 2316/4885S1PR1 1818/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MEN1 2484/4885KMT2A 2316/4885S1PR1 1818/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MEN1 3753/4885KMT2A 1894/4885S1PR1 3043/4885

“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.