SCHEMBL16453455

SCHEMBL16453455

Cc1ccnc(OC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
UHRF1 Q96T88 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR1 P34998 3/20 0.40

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
SCHEMBL6890599 0.94 LOX (0.59) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL17303577 0.94 LOX (0.55) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL30072605 0.94 LOX (0.55) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL15829858 0.88 SYK (0.48) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL8277607 0.88 HDAC6 (0.50) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL427767 0.87 LRRK2 (0.48) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL631617 0.87 LOX (0.46) LOXLOXL2HCRTR1HCRTR2AXL
Hydrochloric Acid SCHEMBL5335017 0.87 SYK (0.47) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL20909924 0.84 LOX (0.42) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL26157201 0.84 LOX (0.42) LOXLOXL2HCRTR1HCRTR2AXL

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-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
WO-2021222404-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN BIOTECH, INC. (US) 2021-11-04 WO disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 US disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-20150045357-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-02-12 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-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 LOX 2114/4885LOXL2 3862/4885HCRTR1 297/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 LOX 2114/4885LOXL2 3862/4885HCRTR1 297/4885
US-20150045357-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL3 LOX 3369/4885LOXL2 3179/4885HCRTR1 4525/4885

“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.