SCHEMBL6844997

SCHEMBL6844997

Cc1cc(-c2cccc(F)c2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.58
GRM5 P41594 1/20 0.52
MAP4K4 O95819 7/20 0.50
PIM1 P11309 1/20 0.49
IDO1 P14902 1/20 0.45
EGLN2 Q96KS0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGDS O60760 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL12910170 0.79 CYP1A2 (0.48) KMOGRM5MAP4K4IDO1KDM4E
SCHEMBL17051613 0.79 KMO (0.43) KMOMAP4K4
SCHEMBL30412356 0.79 ASIC3 (0.59) KMOKDM4EMEN1MAPTKMT2A
SCHEMBL2129077 0.79 ASIC3 (0.59) KMOKDM4EMEN1MAPTKMT2A
SCHEMBL6845004 0.79 KMO (0.58) KMOMAP4K4IDO1EGLN2MAPT
SCHEMBL4430566 0.79 KMO (0.58) KMOGRM5MAP4K4PIM1IDO1
SCHEMBL1445134 0.79 MIF (0.65) KMOGRM5MAP4K4PIM1IDO1
SCHEMBL17051626 0.78 HSD17B1 (0.42) KMOMAP4K4MEN1KMT2A
SCHEMBL10272049 0.78 KMO (0.54) KMOGRM5MAP4K4PIM1IDO1
SCHEMBL10220787 0.78 KMO (0.54) KMOGRM5MAP4K4PIM1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMO 932/4885GRM5 63/4885MAP4K4 2280/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMO 932/4885GRM5 63/4885MAP4K4 2280/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMO 932/4885GRM5 63/4885MAP4K4 2280/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMO 932/4885GRM5 63/4885MAP4K4 2280/4885

“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.