SCHEMBL4428480

SCHEMBL4428480

COc1ccc(-c2ccc(C#N)c(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.62
PGR P06401 2/20 0.62
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
S1PR1 P21453 1/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
DYRK1A Q13627 1/20 0.46
MAOB P27338 4/20 0.46
MAOA P21397 4/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL509379 0.85 AR (0.50) ARPGRKDM4EMEN1ALDH1A1
SCHEMBL13001686 0.84 TSHR (0.52) ARPGRALDH1A1S1PR1CYP11B1
SCHEMBL8338719 0.81 AR (0.61) ARPGRKDM4EALDH1A1S1PR1
SCHEMBL26391841 0.81 AR (0.61) ARPGRKDM4EALDH1A1S1PR1
SCHEMBL2786920 0.81 CYP11B1 (0.68) ARPGRKDM4EMEN1ALDH1A1
SCHEMBL28223309 0.81 AR (0.65) ARPGRKDM4EMEN1ALDH1A1
SCHEMBL2352315 0.79 TSHR (0.54) ARKDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL19373008 0.79 TSHR (0.54) ARKDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL21899532 0.79 KIF11 (0.47) ARPGRALDH1A1S1PR1CYP11B1
SCHEMBL2785589 0.78 AR (0.57) ARMEN1KMT2ATSHR

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-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-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 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 (3 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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 AR 2403/4885PGR 935/4885KDM4E 3488/4885
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 AR 3577/4885PGR 1640/4885KDM4E 2674/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 AR 3721/4885PGR 1845/4885KDM4E 2796/4885

“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.