SCHEMBL4863117

SCHEMBL4863117

COc1ccc(-c2ccc3c(c2)CCN3Cc2ccccc2)cc1CCN(CCCCC=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB4 Q15303 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR4 Q13639 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TRIM24 O15164 1/20 0.33

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
SCHEMBL4859687 0.91 ADRB3 (0.38) ADRB3EGFRERBB2ERBB4ALOX5
SCHEMBL4860522 0.90 MEN1 (0.33) MAPTMEN1KMT2AHTR4DRD2
SCHEMBL4855336 0.88 S1PR1 (0.38) ALOX5MAPTMEN1KMT2AHTR4
SCHEMBL4859154 0.87 THRB (0.41) MAPTMEN1KMT2ATRIM24
SCHEMBL4854074 0.86 CYP11B1 (0.41) TRIM24
SCHEMBL4857520 0.85 DGAT1 (0.42) MAPTMEN1KMT2ATRIM24
SCHEMBL4861189 0.83 TRIM24 (0.43) TRIM24
SCHEMBL4851828 0.83 TRIM24 (0.36) MEN1KMT2AHTR4TRIM24
SCHEMBL4863112 0.81 ACHE (0.44) EGFRERBB2ERBB4MAPTDRD4
SCHEMBL4859365 0.81 NOTUM (0.35) MEN1KMT2ADRD2DRD4DRD3

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 ADRB3 32/4885EGFR 4651/4885ERBB2 4743/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ADRB3 32/4885EGFR 4651/4885ERBB2 4743/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ADRB3 161/4885EGFR 4774/4885ERBB2 4808/4885

“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.