SCHEMBL4851395

SCHEMBL4851395

COc1ccccc1CCN(CCCCCC(=O)c1c[nH]c2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.53
WNT3A P56704 3/20 0.53
HAT1 O14929 1/20 0.48
EP300 Q09472 1/20 0.48
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TACR1 P25103 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.43
NAMPT P43490 1/20 0.42
ACHE P22303 1/20 0.41
ADAM17 P78536 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4863061 0.99 CTNNB1 (0.54) CTNNB1WNT3AHAT1EP300CDK4
SCHEMBL4850312 0.89 CTNNB1 (0.57) CTNNB1WNT3AHAT1EP300CDK4
SCHEMBL4855006 0.88 MEN1 (0.45) CTNNB1WNT3AHAT1EP300CDK4
SCHEMBL4856813 0.88 CTNNB1 (0.58) CTNNB1WNT3AHAT1EP300CDK4
SCHEMBL4858828 0.87 MEN1 (0.45) CTNNB1WNT3AHAT1EP300CDK4
SCHEMBL4862452 0.87 POLB (0.47) CTNNB1WNT3AKMT2ARAB9ANAMPT
SCHEMBL5982135 0.86 POLB (0.47) CTNNB1WNT3AKMT2ARAB9ANAMPT
SCHEMBL27593077 0.85 CTNNB1 (0.57) CTNNB1WNT3AHAT1EP300CDK4
SCHEMBL13987506 0.79 CTNNB1 (0.61) CTNNB1WNT3AHAT1EP300CDK4
SCHEMBL13987503 0.78 CTNNB1 (0.63) CTNNB1WNT3AHAT1EP300CDK4

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 CTNNB1 2598/4885WNT3A 3076/4885HAT1 1238/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CTNNB1 2598/4885WNT3A 3076/4885HAT1 1238/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CTNNB1 4153/4885WNT3A 4058/4885HAT1 868/4885

“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.