SCHEMBL6540873

SCHEMBL6540873

CN(C)[C@@H]1CCc2cccc(Br)c2C1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.67
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
HTR1A P08908 12/20 0.50
HTR7 P34969 12/20 0.50
HTR1D P28221 3/20 0.49
HTR1B P28222 3/20 0.49

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
SCHEMBL5361640 1.00 CHRM3 (0.67) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9759621 0.84 DRD2 (0.49) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9759874 0.83 DRD2 (0.58) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL14591348 0.82 CHRM3 (0.47) CHRM3CHRM2CHRM1
SCHEMBL14591308 0.81 CHRM3 (0.69) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL8630151 0.80 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D
SCHEMBL7763389 0.80 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D
SCHEMBL8634782 0.80 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D
SCHEMBL8891132 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1DRD2DRD3
Hydrochloric Acid SCHEMBL6542162 0.80 CHRM3 (0.67) CHRM3CHRM2CHRM1DRD2DRD4

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
EP-1052982-A4 AMINOTETRALINS AS 5-HT 1D$g(a)? AGONISTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-20020065312-A1 Aminotetralins as 5-HT1Dalpha agonists SCHAUS JOHN M (US) 2002-05-30 US disclosed
US-6355674-B1 PSYCHOLOGICAL DISORDERS; ANTISEROTONINE AGENTS ELI LILLY AND COMPANY 2002-03-12 US disclosed
EP-1052982-A1 AMINOTETRALINS AS 5-HT 1D$g(a)? AGONISTS ELI LILLY AND COMPANY (US) 2000-11-22 EP disclosed
WO-1998048786-A1 AMINOTETRALINS AS 5-HT1Dα AGONISTS ELI LILLY AND COMPANY (US) 1998-11-05 WO 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-20020065312-A1 Aminotetralins as 5-HT1Dalpha agonists HTR1D, HTR1A, HTR1E CHRM3 754/4885CHRM2 1303/4885CHRM1 522/4885

“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.