SCHEMBL6035455

SCHEMBL6035455

COc1ccccc1CCNCCCCC(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
ACHE P22303 2/20 0.44
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.42
DRD2 P14416 4/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
BCHE P06276 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
Hydrochloric Acid SCHEMBL4860049 0.99 CRBN (0.47) CRBNHDAC3HDAC4HDAC1HDAC2
SCHEMBL6035179 0.99 HDAC3 (0.48) CRBNHDAC3HDAC4HDAC1HDAC2
Hydrochloric Acid SCHEMBL4852342 0.98 HDAC3 (0.48) CRBNHDAC3HDAC4HDAC1HDAC2
SCHEMBL13987377 0.87 ACHE (0.58) ACHEALOX15BCHECHRM2
SCHEMBL6035845 0.86 ACHE (0.42) ACHEBCHECHRM2PDE3BPDE3A
Hydrochloric Acid SCHEMBL4850161 0.86 ACHE (0.57) ACHEALOX15BCHECHRM2
SCHEMBL6035065 0.86 HDAC3 (0.49) CRBNHDAC3HDAC4HDAC1HDAC2
Hydrochloric Acid SCHEMBL4856792 0.86 ACHE (0.41) ACHEBCHECHRM2ADRB2PDE3B
SCHEMBL6035044 0.85 HDAC3 (0.51) CRBNHDAC3HDAC4HDAC1HDAC2
Hydrochloric Acid SCHEMBL4861062 0.85 HDAC3 (0.48) CRBNHDAC3HDAC4HDAC1HDAC2

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 4 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-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US 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 (1 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 CRBN 4237/4885HDAC3 1751/4885HDAC4 2453/4885

“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.