SCHEMBL10835486

SCHEMBL10835486

COc1ccccc1N1CCN(CCCN2Cc3cc(Cl)c(S(N)(=O)=O)cc3C2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.64
DRD2 P14416 12/20 0.64
HTR7 P34969 3/20 0.64
DRD5 P21918 1/20 0.64
DRD1 P21728 3/20 0.56
DRD4 P21917 8/20 0.55
HTR2B P41595 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX12 P18054 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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 SCHEMBL10835779 0.99 DRD3 (0.62) DRD3DRD2HTR7DRD5DRD1
SCHEMBL10834807 0.98 DRD3 (0.66) DRD3DRD2HTR7DRD5DRD1
SCHEMBL10834441 0.95 DRD3 (0.58) DRD3DRD2HTR7DRD5DRD1
SCHEMBL10836111 0.91 DRD3 (0.51) DRD3DRD2HTR7DRD5DRD1
SCHEMBL10835999 0.91 DRD3 (0.51) DRD3DRD2HTR7DRD5DRD1
SCHEMBL10835535 0.89 DRD3 (0.47) DRD3DRD2HTR7DRD5DRD1
SCHEMBL10835498 0.87 DRD3 (0.61) DRD3DRD2HTR7DRD5DRD1
SCHEMBL10835778 0.86 DRD2 (0.68) DRD3DRD2HTR7MEN1ALDH1A1
SCHEMBL10835105 0.85 DRD3 (0.59) DRD3DRD2HTR7DRD5DRD1
SCHEMBL10835894 0.84 DRD2 (0.45) DRD3DRD2HTR7DRD5DRD1

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-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 US claimed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 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-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A DRD3 2768/4885DRD2 2584/4885HTR7 1962/4885

“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.