SCHEMBL2785371

SCHEMBL2785371

Cc1c(CCN2CCCCC2)c(=O)oc2ccc(-c3ccc(C#N)cc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.58
SCN7A Q01118 1/20 0.47
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1B1 P30837 1/20 0.41
ALDH1A3 P47895 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 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
SCHEMBL2785367 0.99 HRH3 (0.57) HRH3SCN7AHRH2HRH1KCNH2
SCHEMBL2787750 0.92 HRH3 (0.55) HRH3SCN7AHRH2HRH1ALDH1A2
SCHEMBL2785059 0.91 HRH3 (0.54) HRH3SCN7AHRH2HRH1
SCHEMBL7602733 0.84 HRH3 (0.64) HRH3HRH2HRH1KCNH2
SCHEMBL2784525 0.83 HRH3 (0.63) HRH3HRH2HRH1KCNH2
SCHEMBL2785967 0.83 HRH3 (0.63) HRH3HRH2HRH1KCNH2
SCHEMBL7599795 0.83 HRH3 (0.63) HRH3HRH2HRH1KCNH2
SCHEMBL2786426 0.79 HSD17B3 (0.53) ALDH1A2ALDH1A1ALDH2MAPTALDH1B1
SCHEMBL7598173 0.79 HRH3 (0.61) HRH3ALDH1A2ALDH1A1ALDH2MAPT
SCHEMBL2788457 0.78 HRH3 (0.50) HRH3ALDH1A2ALDH1A1ALDH2ALDH1B1

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-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US disclosed
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-12-05 US disclosed
US-20020177589-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 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 (4 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-20020177589-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885SCN7A 671/4885HRH2 4/4885
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 HRH3 1/4885SCN7A 801/4885HRH2 3/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885SCN7A 671/4885HRH2 4/4885
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885SCN7A 671/4885HRH2 4/4885

“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.