SCHEMBL6597117

SCHEMBL6597117

CCCN(CCCCN1CCNCCC1=O)C1CCc2cc(Br)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
DRD3 P35462 12/20 0.44
DRD2 P14416 11/20 0.44
HTR1A P08908 3/20 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
SCHEMBL6594237 0.88 DRD2 (0.62) HTR1DHTR1BDRD3DRD2
SCHEMBL6597455 0.87 DRD3 (0.51) HTR1DHTR1BDRD3DRD2
SCHEMBL6597012 0.86 DRD3 (0.50) HTR1DHTR1BDRD3DRD2
SCHEMBL6593425 0.86 DRD2 (0.53) HTR1DHTR1BDRD3DRD2HTR1A
SCHEMBL6593930 0.86 DRD2 (0.61) DRD3DRD2HTR1A
SCHEMBL6775702 0.86 DRD3 (0.46) HTR1DHTR1BDRD3DRD2HTR1A
SCHEMBL6593464 0.85 DRD3 (0.49) HTR1DHTR1BDRD3DRD2
SCHEMBL6593446 0.85 DRD2 (0.49) HTR1DHTR1BDRD3DRD2HTR1A
SCHEMBL6597020 0.85 DRD3 (0.49) HTR1DHTR1BDRD3DRD2
SCHEMBL6593361 0.85 ALDH1A1 (0.48) DRD3DRD2

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 7 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
EP-1289964-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-10-20 EP 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-20030109524-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists WEIKERT ROBERT JAMES (US) 2003-06-12 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 (3 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 HTR1D 151/4885HTR1B 209/4885DRD3 278/4885
US-20030109524-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 HTR1D 151/4885HTR1B 209/4885DRD3 278/4885
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 HTR1D 151/4885HTR1B 209/4885DRD3 278/4885

“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.