SCHEMBL17740425

SCHEMBL17740425

COc1ccc(-c2cccc3[nH]c(Cl)nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.46
ENPP3 O14638 1/20 0.46
PARP1 P09874 3/20 0.46
PLA2G2A P14555 1/20 0.46
ALOX15 P16050 1/20 0.46
PTGS2 P35354 1/20 0.46
AURKA O14965 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NUDT1 P36639 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL8818573 0.83 MGAM (0.60) PARP1PLA2G2AALOX15PTGS2AURKA
SCHEMBL12814432 0.82 PARP1 (0.46) ENPP1ENPP3PARP1PLA2G2AALOX15
SCHEMBL9306889 0.81 NPC1 (0.50) ENPP1NPC1RAB9ANUDT1MGAM
SCHEMBL8814866 0.80 KDM4E (0.61) PARP1PLA2G2AALOX15PTGS2AURKA
SCHEMBL11260279 0.78 MGAM (0.46) PARP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL17731650 0.77 KDM4E (0.46) ENPP1ENPP3PARP1AURKANPC1
SCHEMBL941420 0.74 HPGD (0.54) PARP1ALOX15AURKANPC1RAB9A
SCHEMBL18024110 0.73 ENPP1 (0.48) ENPP1ENPP3PARP1AURKANPC1
SCHEMBL8816887 0.70 PARP1 (0.53) PARP1PLA2G2AALOX15PTGS2AURKA
SCHEMBL8814869 0.70 PARP1 (0.62) PARP1AURKANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
WO-2016073407-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-12 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 (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-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands CHRNA7, CHRNA5, CHRNA2 ENPP1 1588/4885ENPP3 1778/4885PARP1 3112/4885
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 ENPP1 1777/4885ENPP3 1916/4885PARP1 3304/4885

“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.