SCHEMBL2806097

SCHEMBL2806097

Cc1cc(-c2ccc(O)c(I)c2)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.41
ESR1 P03372 5/20 0.41
AR P10275 4/20 0.41
EGLN2 Q96KS0 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
TSHR P16473 1/20 0.37
PGR P06401 1/20 0.37
S1PR1 P21453 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
MCL1 Q07820 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
SCHEMBL13001686 0.82 TSHR (0.52) AREGLN2CYP11B1CYP11B2TSHR
SCHEMBL2788786 0.80 CYP11B2 (0.50) ESR2ESR1CYP11B1CYP11B2
SCHEMBL19314123 0.80 HSD17B1 (0.55) ESR2ESR1ARHSD17B1HSD17B2
SCHEMBL2785589 0.79 AR (0.57) ESR2ESR1AREGLN2HSD17B1
SCHEMBL19880348 0.75 APP (0.55) ESR2HSD17B1HSD17B2MCL1
SCHEMBL2785702 0.75 MMP3 (0.55) ESR2ESR1ARCYP11B2MAOA
SCHEMBL8338719 0.74 AR (0.61) AREGLN2CYP11B1CYP11B2MAOA
SCHEMBL26391841 0.74 AR (0.61) AREGLN2CYP11B1CYP11B2MAOA
SCHEMBL2785232 0.73 TTR (0.41) ESR2ESR1AREGLN2CYP11B1
SCHEMBL21899532 0.73 KIF11 (0.47) AREGLN2CYP11B1CYP11B2TSHR

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 5 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-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 (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-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 ESR2 1688/4885ESR1 2006/4885AR 3577/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ESR2 2003/4885ESR1 2109/4885AR 3721/4885

“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.