SCHEMBL2785232

SCHEMBL2785232

Cc1cc(C#N)ccc1-c1ccc(O)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
CYP11B1 P15538 5/20 0.40
CYP11B2 P19099 5/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
AR P10275 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
MMP3 P08254 1/20 0.37
EGLN2 Q96KS0 3/20 0.36
CYP19A1 P11511 2/20 0.36
S1PR1 P21453 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 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
SCHEMBL2786090 0.79 MMP3 (0.57) CYP11B1CYP11B2KDM1AMAOAAR
SCHEMBL2785702 0.79 MMP3 (0.55) TTRALBCYP11B2KDM1AMAOA
SCHEMBL7634772 0.78 ALDH1A1 (0.48) CYP11B1CYP11B2HRH2HRH1MMP3
SCHEMBL2784352 0.78 MMP3 (0.43) TTRALBCYP11B1CYP11B2KDM1A
SCHEMBL178073 0.78 TTR (0.58) TTRALBKDM1AMAOAAR
SCHEMBL25767772 0.77 CYP11B1 (0.45) CYP11B1CYP11B2HRH2HRH1EGLN2
SCHEMBL27806613 0.77 KIF11 (0.47) CYP11B1CYP11B2HRH2HRH1MMP3
SCHEMBL23625527 0.75 ALDH1A1 (0.56) CYP11B1CYP11B2KDM1AARHRH2
SCHEMBL7125883 0.74 MMP3 (0.66) TTRALBARESR1ESR2
SCHEMBL321522 0.74 XDH (0.56) TTRALB

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 TTR 4437/4885ALB 3688/4885CYP11B1 2602/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 TTR 4468/4885ALB 3852/4885CYP11B1 1715/4885

“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.