SCHEMBL6352242

SCHEMBL6352242

COc1cncc(NCCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SYK P43405 7/20 0.39
DYRK1A Q13627 3/20 0.39
CLK1 P49759 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
STK17A Q9UEE5 3/20 0.38
STK17B O94768 1/20 0.38
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKACA P17612 1/20 0.37
ROCK1 Q13464 1/20 0.37
NTRK3 Q16288 1/20 0.37

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
SCHEMBL6351827 0.90 FERMT2 (0.41) KDRGAAMAPTCHRNB2CHRNA4
SCHEMBL17604345 0.80 KDR (0.48) KDRGAAMAPTCHRNB2CHRNA4
SCHEMBL22421831 0.78 DYRK1A (0.42) KDRCHRNB2CHRNA4DYRK1ACLK1
SCHEMBL8557540 0.77 MTNR1A (0.63) GAAMAPTMTNR1AMTNR1BSYK
SCHEMBL3021452 0.74 GAA (0.77) GAAMAPTSYK
SCHEMBL26328401 0.73 SLC22A12 (0.41) GAACHRNB2CHRNA4DYRK1ASLC22A12
SCHEMBL22421832 0.73 CYP11B1 (0.44) GAAMAPTDYRK1ASLC22A12STK17A
SCHEMBL7526055 0.73 AKT1 (0.53) CHRNB2CHRNA4DYRK1ASTK17AROCK2
SCHEMBL9148799 0.72 MTNR1A (0.61) GAAMAPTHSP90AA1HSP90AB1MTNR1A
Hydrochloric Acid SCHEMBL25239818 0.72 SLC22A12 (0.40) GAACHRNB2CHRNA4DYRK1ASLC22A12

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-6897219-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2005-05-24 US disclosed
US-6825189-B1 TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION NEUROSEARCH A/S (DK) 2004-11-30 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
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 (1 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-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 KDR 2352/4885GAA 4188/4885MAPT 4539/4885

“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.