SCHEMBL5216508

SCHEMBL5216508

O=Cc1cccc(Oc2cccc(Br)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
MAOB P27338 8/20 0.62
MAOA P21397 7/20 0.62
SRC P12931 1/20 0.50
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CHEK1 O14757 1/20 0.44
KDR P35968 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
TLR4 O00206 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
SCHEMBL30631693 0.88 SRC (0.60) ALDH1A1MAOBMAOASRCMAPT
SCHEMBL6849018 0.88 SRC (0.60) ALDH1A1MAOBMAOASRCMAPT
SCHEMBL7936134 0.87 MAOA (0.62) ALDH1A1MAOBMAOASRCMAPT
SCHEMBL260408 0.87 ALDH1A1 (0.55) ALDH1A1MAOBMAOAMAPTCYP1A2
SCHEMBL6852137 0.86 SRC (0.58) ALDH1A1MAOBMAOASRCMAPT
Benzene SCHEMBL17267850 0.84 MAOA (0.58) ALDH1A1MAOBMAOASRCMAPT
SCHEMBL6856729 0.84 SRC (0.56) ALDH1A1MAOBMAOASRCMAPT
SCHEMBL98478 0.82 MAOB (0.61) ALDH1A1MAOBMAOASRCMAPT
SCHEMBL11482497 0.82 MAOB (0.61) ALDH1A1MAOBMAOASRCMAPT
SCHEMBL29484309 0.82 MAOB (0.61) ALDH1A1MAOBMAOASRCMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP disclosed
US-20050113435-A1 Histamine-3 receptor ligands for diabetic conditions HANCOCK ARTHUR A (US) 2005-05-26 US disclosed
EP-1474132-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS Abbott Laboratories (US) 2004-11-10 EP disclosed
EP-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP 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-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions ABBOTT LABORATORIES 2003-08-14 US disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
WO-2003059342-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions ABBOTT LABORATORIES 2003-07-17 US disclosed
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 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
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO disclosed
US-4242357-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 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 (5 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 ALDH1A1 962/4885MAOB 1114/4885MAOA 1074/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ALDH1A1 962/4885MAOB 1114/4885MAOA 1074/4885
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 ALDH1A1 1508/4885MAOB 1202/4885MAOA 1303/4885
US-20050113435-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 ALDH1A1 1508/4885MAOB 1202/4885MAOA 1303/4885
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions HRH4, HRH2, HRH3 ALDH1A1 1597/4885MAOB 1120/4885MAOA 1206/4885

“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.