SCHEMBL13680651

SCHEMBL13680651

Cc1cccc(-c2cnc(C)nc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
ACHE P22303 3/20 0.46
RAB9A P51151 2/20 0.46
MAP4K4 O95819 2/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 1/20 0.44
ADORA1 P30542 1/20 0.44
ENPP3 O14638 1/20 0.43
NPY5R Q15761 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
EGLN1 Q9GZT9 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
SCHEMBL15344198 0.83 EGLN1 (0.47) IDO1METAP2ACHERAB9AMAP4K4
SCHEMBL13040 0.83 MAP4K4 (0.66) IDO1METAP2RAB9AMAP4K4NPC1
SCHEMBL13680652 0.82 RAB9A (0.63) IDO1METAP2ACHERAB9ANPC1
SCHEMBL31471473 0.81 ACHE (0.69) IDO1METAP2ACHERAB9AMAP4K4
SCHEMBL301247 0.81 ACHE (0.69) IDO1METAP2ACHERAB9AMAP4K4
SCHEMBL29373699 0.81 ACHE (0.69) IDO1METAP2ACHERAB9AMAP4K4
SCHEMBL13680543 0.80 FTO (0.50) IDO1METAP2ACHERAB9AMAP4K4
SCHEMBL13680650 0.80 ENPP3 (0.42) IDO1METAP2ACHERAB9AMAP4K4
SCHEMBL13680644 0.80 DHFR (0.44) IDO1METAP2RAB9AMAP4K4
SCHEMBL10220204 0.80 IDO1 (0.42) IDO1METAP2ACHERAB9AMAP4K4

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
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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 (5 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 IDO1 2159/4885METAP2 3652/4885ACHE 23/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 IDO1 2159/4885METAP2 3652/4885ACHE 23/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 IDO1 2159/4885METAP2 3652/4885ACHE 23/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 IDO1 2159/4885METAP2 3652/4885ACHE 23/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 IDO1 2159/4885METAP2 3652/4885ACHE 23/4885

“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.