SCHEMBL14970147

SCHEMBL14970147

Cc1nc2ccc(C(=O)N3CCCC3)cc2s1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.81
ALDH1A1 P00352 2/20 0.66
TSHR P16473 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 3/20 0.62
HSD17B10 Q99714 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 4/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ACP1 P24666 1/20 0.58
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL12963767 0.99 HPGD (0.79) HPGDALDH1A1TSHRHTTRAB9A
SCHEMBL10049918 0.88 HPGD (0.75) HPGDALDH1A1TSHRHTTHSD17B10
SCHEMBL16000504 0.84 HPGD (0.66) HPGDALDH1A1TSHRHTTRAB9A
SCHEMBL16002927 0.84 HPGD (0.69) HPGDALDH1A1TSHRHTTRAB9A
SCHEMBL557523 0.83 CYP1A2 (0.67) HPGDTSHRHTTRAB9AMAPK1
SCHEMBL32678152 0.83 CYP1A2 (0.67) HPGDTSHRHTTRAB9AMAPK1
SCHEMBL10272510 0.83 HPGD (0.62) HPGDALDH1A1TSHRHTTRAB9A
SCHEMBL10219839 0.83 HPGD (0.59) HPGDALDH1A1TSHRHTTRAB9A
SCHEMBL22242682 0.83 HPGD (0.67) HPGDALDH1A1TSHRRAB9AHSD17B10
SCHEMBL25941519 0.82 HPGD (0.67) HPGD

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-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

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 HPGD 1570/4885ALDH1A1 1082/4885TSHR 372/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 HPGD 1570/4885ALDH1A1 1082/4885TSHR 372/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 HPGD 1570/4885ALDH1A1 1082/4885TSHR 372/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 HPGD 1570/4885ALDH1A1 1082/4885TSHR 372/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 HPGD 1570/4885ALDH1A1 1082/4885TSHR 372/4885

“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.