SCHEMBL5659919

SCHEMBL5659919

Clc1cncc(-n2cccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
POLB P06746 1/20 0.44
CHRNA1 P02708 1/20 0.42
CHRNA7 P36544 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
ALK Q9UM73 1/20 0.40
IDO1 P14902 1/20 0.39
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
NLRP1 Q9C000 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL2275659 0.75 AOC2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL12369610 0.74 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL30811828 0.74 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL30201408 0.74 MAPT (0.52) POLBALKMAPTKDM4EALDH1A1
SCHEMBL25614129 0.74 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL16720482 0.74 CHRNB2 (0.42) CHRNB2CHRNA4POLBALKMAPT
SCHEMBL3931376 0.74 MAPT (0.52) POLBALKMAPTKDM4EALDH1A1
SCHEMBL1423044 0.72 HCAR2 (0.48) CHRNB2CHRNA4POLBHCAR2ALK
SCHEMBL30835180 0.72 HCAR2 (0.48) CHRNB2CHRNA4POLBHCAR2ALK
SCHEMBL25614166 0.71 CHRNB2 (0.49) CHRNB2CHRNA4MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880817-A Chemical synthesis method of 3-chlorine-5-(3'-N-Boc-pyrryl) pyridine UNIV NANTONG 2014-06-25 CN disclosed
US-7282494-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2007-10-16 US disclosed
US-7064118-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-20 US disclosed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US disclosed
US-6897219-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2005-05-24 US disclosed
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP disclosed
US-6825189-B1 TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION NEUROSEARCH A/S (DK) 2004-11-30 US disclosed
US-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US disclosed
EP-1027336-B1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH AS (DK) 2004-10-06 EP disclosed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US disclosed
CN-1131211-C Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2003-12-17 CN disclosed
EP-1274710-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NeuroSearch A/S (DK) 2003-01-15 EP disclosed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US disclosed
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
WO-2001044243-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH A/S (DK) 2001-06-21 WO disclosed
CN-1277604-A Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2000-12-20 CN disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO disclosed
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP disclosed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 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 (4 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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 7/4885CHRNA4 12/4885CHRNB4 17/4885
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes CHRNA2, CHRNA5, CHRNA6 CHRNB2 6/4885CHRNA4 8/4885CHRNB4 11/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885CHRNB4 17/4885
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 CHRNB2 700/4885CHRNA4 1019/4885CHRNB4 1055/4885

“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.