SCHEMBL4852226

SCHEMBL4852226

COc1ccccc1CCN(CCCCC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
DRD3 P35462 4/20 0.42
DRD4 P21917 3/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
CRBN Q96SW2 2/20 0.42
ALOX15 P16050 1/20 0.38
DRD2 P14416 3/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37

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
SCHEMBL13988024 0.90 HTR1A (0.43) DRD3DRD4HTR1AHTR2AHTR7
SCHEMBL4851846 0.90 DRD3 (0.44) ACHEDRD3DRD4HTR1AHTR2A
SCHEMBL4856265 0.89 HTR1A (0.42) ACHEDRD3DRD4HTR1AHTR2A
SCHEMBL4861958 0.89 ACHE (0.55) ACHEALOX15
SCHEMBL4861872 0.88 MAOA (0.47) DRD3DRD4HTR1AHTR2AHTR7
SCHEMBL4854054 0.84 ACHE (0.40) ACHEDRD4DRD2
SCHEMBL4851844 0.83 ALDH1A1 (0.47) ALOX15
SCHEMBL13987129 0.82 DRD4 (0.42) ACHEDRD4HTR1ADRD2
SCHEMBL4860680 0.81 TDP1 (0.45) ACHE
SCHEMBL4861851 0.81 ACHE (0.40) ACHEDRD4DRD2

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 ACHE 1/4885DRD3 991/4885DRD4 1514/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885DRD3 991/4885DRD4 1514/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885DRD3 1490/4885DRD4 1777/4885

“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.