SCHEMBL4775359

SCHEMBL4775359

Clc1cccc(-c2cc[c]nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
BACE1 P56817 1/20 0.42
SCN2A Q99250 1/20 0.42
IDO1 P14902 4/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HRH1 P35367 1/20 0.41
TDO2 P48775 1/20 0.40
CNR2 P34972 1/20 0.40
ESR2 Q92731 1/20 0.40
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL2749712 0.82 RXRA (0.34) TSHRMAP4K4MAOB
SCHEMBL1899792 0.79 ALOX5 (0.47) ALOX5BACE1SCN2AIDO1TAAR1
SCHEMBL1515217 0.78 ENPP3 (0.42) IDO1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL4781195 0.78 HSD17B1 (0.52) ESR2
SCHEMBL4781314 0.78 TAAR1 (0.44) IDO1TAAR1ESR2NOTUMMAP4K4
SCHEMBL2751540 0.77 AHR (0.56) HRH1CNR2NOTUMNPC1RAB9A
SCHEMBL745572 0.77
SCHEMBL4778968 0.76 NISCH (0.41)
SCHEMBL4781095 0.76 AHR (0.41) ALOX5BACE1SCN2ANOTUMNPC1
SCHEMBL69790 0.76 ALDH1A1 (0.43) SCN2ATAAR1NOTUMNPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN claimed
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 ALOX5 1184/4885BACE1 2968/4885SCN2A 2720/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ALOX5 1184/4885BACE1 2968/4885SCN2A 2720/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R ALOX5 1381/4885BACE1 4707/4885SCN2A 3391/4885
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 ALOX5 610/4885BACE1 2873/4885SCN2A 2555/4885
US-20050113435-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 ALOX5 610/4885BACE1 2873/4885SCN2A 2555/4885
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions HRH4, HRH2, HRH3 ALOX5 648/4885BACE1 2728/4885SCN2A 2546/4885

“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.