SCHEMBL1134473

SCHEMBL1134473

Fc1ccc(COc2cncc(Cl)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 6/20 0.40
APP P05067 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL31080566 0.84 CYP11B1 (0.37) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3266593 0.84 IDO1 (0.39) IDO1
SCHEMBL1134458 0.83 HTR2A (0.43) PTGS1PTGS2LMNAL3MBTL1
SCHEMBL3270431 0.83 MAOB (0.44) KMT2AMAOBIDO1
SCHEMBL1993092 0.81 PDE2A (0.47) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL3267930 0.81 IDO1 (0.42) MEN1KMT2ANPC1IDO1AGXT
SCHEMBL3266824 0.80 MAOB (0.47) RAB9AMAOBPTGS1PTGS2LMNA
SCHEMBL3267807 0.79 HTR2C (0.40) MEN1KMT2A
SCHEMBL3266840 0.76 HTR1A (0.44) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL3272342 0.76 CYP2D6 (0.42) NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700639-A1 Selective ligands for the neuronal nicotinic receptors and uses thereof Abbvie Inc. (US) 2014-02-26 EP disclosed
US-8648084-B2 Selective substituted pyrazine ligands for neuronal nicotinic receptors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS ABBVIE INC. 2012-07-26 US disclosed
US-8148408-B2 Selective substituted pyridine ligands for neuronal nicotinic receptors ABBOTT LABORATORIES (US) 2012-04-03 US disclosed
EP-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 EP disclosed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 WO disclosed
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 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 (2 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-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS CHRNA4, CHRNB4, CHRNA2 MEN1 3463/4885KMT2A 1603/4885NPC1 1566/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 MEN1 3152/4885KMT2A 2439/4885NPC1 1078/4885

“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.