SCHEMBL6035860

SCHEMBL6035860

Cn1c(=O)n2c3c(cc(C(=O)CCCCNCCc4ccc(O)cc4Cl)cc31)CCC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
HTR6 P50406 1/20 0.32
NPC1 O15118 1/20 0.32
TTR P02766 1/20 0.32
SLC2A1 P11166 1/20 0.31
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
ACHE P22303 1/20 0.30
MC5R P33032 1/20 0.30
MCHR1 Q99705 1/20 0.30

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 SCHEMBL4862272 0.99 HTR1A (0.32) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4859180 0.86 BCL2L1 (0.30)
SCHEMBL6034779 0.84 TP53 (0.32) DRD2NPC1TTRDRD3
Hydrochloric Acid SCHEMBL4853194 0.84 TP53 (0.32) HTR1ADRD2HTR2AHTR7NPC1
SCHEMBL4857687 0.83 PDK1 (0.31)
SCHEMBL6035189 0.80 SMN1; SMN2 (0.40)
Hydrochloric Acid SCHEMBL4855242 0.79 SMN1; SMN2 (0.39)
SCHEMBL6035108 0.78 ACHE (0.38) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4860035 0.78 NPC1 (0.40) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL4860976 0.78 ACHE (0.37) HTR1ADRD2HTR2AHTR7HTR6

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 HTR1A 339/4885DRD2 837/4885HTR2A 851/4885

“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.