SCHEMBL13404690

SCHEMBL13404690

O=C(c1ccc(-c2cc3ccccc3s2)cc1)N1CCC[C@H]1CN1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.72
MET P08581 6/20 0.51
ATR Q13535 1/20 0.49
ALK Q9UM73 2/20 0.49
CSF1R P07333 2/20 0.48
CD274 Q9NZQ7 1/20 0.47
IKBKB O14920 2/20 0.47

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
SCHEMBL13404647 1.00 HRH3 (0.72) HRH3METATRALKCSF1R
SCHEMBL3206536 0.85 HRH3 (0.52) HRH3METCSF1R
SCHEMBL3206524 0.85 HRH3 (0.52) HRH3METCSF1R
SCHEMBL3196699 0.84 HRH3 (0.57) HRH3METATRALKCSF1R
SCHEMBL3196709 0.84 HRH3 (0.57) HRH3METATRALKCSF1R
SCHEMBL5220693 0.84 HRH3 (1.00) HRH3
SCHEMBL2340660 0.82 MET (0.61) HRH3METATRALK
SCHEMBL12393031 0.82 MET (0.61) HRH3METATRALK
SCHEMBL2344330 0.81 HRH3 (0.65) HRH3METATRALK
SCHEMBL2344325 0.81 HRH3 (0.65) HRH3METATRALK

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
EP-1784400-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2015-01-14 EP disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 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 (2 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-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 HRH3 1/4885MET 787/4885ATR 3716/4885
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 HRH3 1/4885MET 766/4885ATR 3711/4885

“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.