SCHEMBL2086569

SCHEMBL2086569

CCCCNC1CCc2cc(Br)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.59
HTR1B P28222 2/20 0.59
DRD2 P14416 10/20 0.53
DRD3 P35462 9/20 0.53
DRD4 P21917 3/20 0.52
GRIN2B Q13224 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
ADRA2A P08913 1/20 0.41
PNMT P11086 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL6336717 0.86 DRD2 (0.70) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL9295705 0.78 DRD2 (0.59) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL23306037 0.77 DRD2 (0.45) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL2787004 0.77 DRD2 (0.45) HTR1DHTR1BDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7399997 0.77 DRD2 (0.58) HTR1DHTR1BDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7399996 0.77 DRD2 (0.58) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL1724881 0.75 GRIN2B (0.71) HTR1DHTR1BDRD2DRD3GRIN2B
SCHEMBL5221080 0.75 DRD3 (0.43) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL4106723 0.74 HTR1D (0.70) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8885776 0.74 HTR1D (1.00) HTR1DHTR1BDRD2DRD3DRD4

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-7902191-B2 Histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY 2007-07-05 US disclosed
EP-1720861-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082893-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-09-09 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-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 HTR1D 82/4885HTR1B 86/4885DRD2 913/4885

“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.