SCHEMBL2086346

SCHEMBL2086346

Brc1ccc2c(c1)CCC(NC1CCCC1)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.41
CYP2C9 P11712 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP2B6 P20813 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
PNMT P11086 7/20 0.38
ADRA2A P08913 3/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
RB1 P06400 2/20 0.38
FAAH O00519 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 2/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL12778356 1.00 CYP2C8 (0.41) CYP2C8CYP2C9KCNH2CYP2B6HDAC8
SCHEMBL2787004 0.80 DRD2 (0.45) CYP2C8CYP2C9KCNH2CYP2B6HDAC8
SCHEMBL23306037 0.80 DRD2 (0.45) CYP2C8CYP2C9KCNH2CYP2B6HDAC8
SCHEMBL13950761 0.80 CYP2C8 (0.42) CYP2C8CYP2C9KCNH2CYP2B6HDAC8
SCHEMBL29113500 0.79 DRD2 (0.48) CYP2C8CYP2C9KCNH2CYP2B6HDAC8
SCHEMBL20722746 0.75 CA1 (0.50) CYP2C8CYP2C9KCNH2CYP2B6HDAC8
SCHEMBL20722885 0.75 CA1 (0.50) CYP2C8CYP2C9KCNH2CYP2B6HDAC8
SCHEMBL1741607 0.75 CA1 (0.50) CYP2C8CYP2C9KCNH2CYP2B6HDAC8
Hydrochloric Acid SCHEMBL11493794 0.75 CA1 (0.57) CA1CA2ACHE
SCHEMBL13102511 0.73 HTR1D (0.43) HTR1DHTR1BRB1CA1CA2

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 CYP2C8 2069/4885CYP2C9 1652/4885KCNH2 759/4885

“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.