SCHEMBL6775702

SCHEMBL6775702

CCCN(CCCCN1CCOCCC1=O)C1CCc2cc(Br)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.46
DRD2 P14416 12/20 0.46
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL6597433 0.87 DRD3 (0.51) DRD3DRD2HTR1DHTR1B
SCHEMBL6597117 0.86 HTR1D (0.44) DRD3DRD2HTR1DHTR1BHTR1A
SCHEMBL6596564 0.85 ALDH1A1 (0.48) DRD3DRD2
SCHEMBL6778447 0.84 DRD2 (0.62) DRD3DRD2HTR1A
SCHEMBL6594793 0.84 DRD3 (0.44) DRD3DRD2HTR1DHTR1BHTR1A
SCHEMBL6593079 0.83 DRD2 (0.51) DRD3DRD2HTR1A
SCHEMBL6589006 0.83 DRD3 (0.43) DRD3DRD2HTR1DHTR1BHTR1A
SCHEMBL6593423 0.83 DRD2 (0.46) DRD3DRD2HTR1DHTR1BHTR1A
SCHEMBL7535696 0.82 DRD2 (0.49) DRD3DRD2HTR1A
SCHEMBL6594747 0.80 DRD2 (0.48) DRD3DRD2HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818645-B2 2-AMINO-TRIHYDROINDOLE OR TETRAHYDRONAPTHALENE-2-YL DERIVATIVES, USEFUL FOR DISEASE STATE ASSOCIATED WITH SMOOTH MUSCLE DISORDERS, SUCH AS GASTROINTESTINAL AND UROGENITAL DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 US disclosed
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists WEIKERT ROBERT JAMES (US) 2004-02-19 US disclosed
US-6645958-B2 Oxazepine derivatives; urogenital, gastrointestinal, and respiratory system disorders; antiasthmatic and antiallergen agents SYNTEX (U.S.A.) LLC 2003-11-11 US disclosed
US-6500822-B2 MUSCULAR DISORDERS, GASTROINTESTINAL DISORDERS, RESPIRATORY SYSTEM DISORDERS SYNTEX (U.S.A.) LLC 2002-12-31 US disclosed
US-20020004494-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 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 (2 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-20020004494-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 DRD3 278/4885DRD2 235/4885HTR1D 151/4885
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 DRD3 278/4885DRD2 235/4885HTR1D 151/4885

“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.