SCHEMBL6035845

SCHEMBL6035845

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CHRM2 P08172 3/20 0.40
BCHE P06276 2/20 0.40
SLC2A1 P11166 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38

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 SCHEMBL4856792 0.99 ACHE (0.41) ACHEPDE3BPDE3ACHRM2BCHE
SCHEMBL6035455 0.86 CRBN (0.47) ACHEPDE3BPDE3ACHRM2BCHE
SCHEMBL6034243 0.86 ACHE (0.40) ACHEPDE3BPDE3ACHRM2
Hydrochloric Acid SCHEMBL4860049 0.86 CRBN (0.47) ACHEPDE3BPDE3ACHRM2BCHE
SCHEMBL6034269 0.86 ACHE (0.42) ACHEPDE3BPDE3ACHRM2BCHE
SCHEMBL6035179 0.86 HDAC3 (0.48) ACHECHRM2BCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL4860074 0.85 ACHE (0.39) ACHEPDE3BPDE3ACHRM2
Hydrochloric Acid SCHEMBL4855018 0.85 ACHE (0.43) ACHEPDE3BPDE3ACHRM2BCHE
Hydrochloric Acid SCHEMBL4852342 0.85 HDAC3 (0.48) ACHECHRM2BCHEMEN1KMT2A
SCHEMBL13987377 0.84 ACHE (0.58) ACHECHRM2BCHESLC2A1MTNR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US claimed
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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN 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 ACHE 1/4885PDE3B 27/4885PDE3A 12/4885

“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.