SCHEMBL15933154

SCHEMBL15933154

Cc1cc(OC2CCCC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.45
LOX P28300 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
PDGFRB P09619 3/20 0.43
PDGFRA P16234 3/20 0.43
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
JAK3 P52333 2/20 0.36
ACACB O00763 3/20 0.36
LRRK2 Q5S007 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL15114927 0.98 S1PR1 (0.47) S1PR1LOXLOXL2PDGFRBPDGFRA
SCHEMBL1551070 0.84 ROCK1 (0.40) S1PR1PSEN1PSEN2APH1BNCSTN
SCHEMBL16220838 0.84 PIK3CA (0.42) S1PR1PSEN1PSEN2APH1BNCSTN
SCHEMBL19174461 0.84 PIM1 (0.44) S1PR1LOXLOXL2PDGFRBPDGFRA
SCHEMBL15114904 0.82 GRM5 (0.40) S1PR1LOXLOXL2PSEN1PSEN2
SCHEMBL17303984 0.80 CHRM1 (0.36)
SCHEMBL19171073 0.78 LRRK2 (0.41) ACACBLRRK2GRM5
SCHEMBL15114930 0.78 LRRK2 (0.41) ACACBLRRK2GRM5
SCHEMBL557714 0.78 S1PR1 (0.50) S1PR1LOXLOXL2PDGFRBPDGFRA
SCHEMBL558400 0.78 LOX (0.47) S1PR1LOXLOXL2PDGFRBPDGFRA

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 3 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 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 (3 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 S1PR1 2326/4885LOX 2012/4885LOXL2 4093/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 S1PR1 2326/4885LOX 2012/4885LOXL2 4093/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 S1PR1 2326/4885LOX 2012/4885LOXL2 4093/4885

“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.