SCHEMBL5097371

SCHEMBL5097371

CCN1CCc2c(cccc2OCCCN2CCCCC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 1.00
S1PR5 Q9H228 2/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5100227 0.90 HRH3 (1.00) HRH3S1PR5CYP2D6CYP2C19ALDH1A1
SCHEMBL5093782 0.84 HRH3 (1.00) HRH3S1PR5ALDH1A1SMN1; SMN2
SCHEMBL11819804 0.82 HRH3 (0.68) HRH3ALDH1A1
SCHEMBL8191897 0.80 HRH3 (0.66) HRH3S1PR5
SCHEMBL11742426 0.78 HRH3 (0.64) HRH3S1PR5
SCHEMBL5100971 0.77 HRH3 (0.62) HRH3S1PR5ALDH1A1L3MBTL1
SCHEMBL11830371 0.77 HRH3 (0.62) HRH3
SCHEMBL22020690 0.77 HRH3 (0.62) HRH3
SCHEMBL5106715 0.77 HRH3 (0.67) HRH3S1PR5ALDH1A1
SCHEMBL14287592 0.77 HRH3 (0.82) HRH3CYP2D6CYP2C19ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-20040110748-A1 Non-imidazole aryl alkylamines compounds as histamine h3 receptor antagonists, preparation and therapeutic uses BEAVERS LISA SELSAM (US) 2004-06-10 US disclosed
EP-1379493-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly and Company (US) 2004-01-14 EP disclosed
WO-2002076925-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2002-10-03 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-20040110748-A1 Non-imidazole aryl alkylamines compounds as histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 HRH3 1/4885S1PR5 467/4885CYP2D6 939/4885

“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.