SCHEMBL4859693

SCHEMBL4859693

COc1ccccc1CCN(CCCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
BRPF1 P55201 2/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
DRD4 P21917 1/20 0.36
HTR1A P08908 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4850087 0.97 ACHE (0.40) BRD4BRPF1ACHEMAPTALDH1A1
SCHEMBL4861025 0.91 DRD2 (0.36) BRD4BRPF1ALDH1A1SMN1; SMN2GLA
SCHEMBL13988027 0.90 ALDH1A1 (0.43) BRD4BRPF1MAPTALDH1A1SMN1; SMN2
SCHEMBL13988028 0.90 ALDH1A1 (0.39) BRD4BRPF1ALDH1A1SMN1; SMN2GLA
SCHEMBL4854944 0.89 ALDH1A1 (0.42) BRD4BRPF1ACHEMAPTALDH1A1
SCHEMBL4857775 0.89 POLB (0.40) BRD4BRPF1ALDH1A1SMN1; SMN2GLA
SCHEMBL4860067 0.88 ALDH1A1 (0.42) BRD4BRPF1MAPTALDH1A1SMN1; SMN2
SCHEMBL4861407 0.86 ALDH1A1 (0.42) BRD4BRPF1ACHEMAPTALDH1A1
SCHEMBL6035460 0.86 BCHE (0.44) BRD4BRPF1ACHEMAPTALDH1A1
SCHEMBL13988017 0.84 HTR6 (0.36) BRD4BRPF1ALDH1A1SMN1; SMN2GLA

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 BRD4 2766/4885BRPF1 2472/4885ACHE 1/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 BRD4 2766/4885BRPF1 2472/4885ACHE 1/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE BRD4 3524/4885BRPF1 1735/4885ACHE 1/4885

“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.