SCHEMBL19614567

SCHEMBL19614567

COc1c(C#N)cccc1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.42
ALOX5AP P20292 8/20 0.42
HTR2A P28223 2/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
OPRL1 P41146 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29058360 0.93 OPRL1 (0.40) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL3739617 0.81 HTR2A (0.43) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL3749818 0.80 HTR2A (0.42) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL11164464 0.79 HCRTR1 (0.38) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL3747583 0.78 FEN1 (0.43) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL2019967 0.77 ADRA1A (0.46) HCRTR2PDCD1CD274KMT2A
SCHEMBL17202931 0.77 HTR2A (0.40) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL16957749 0.77 HTR2C (0.37) FEN1ALOX5APHTR1AKMT2A
SCHEMBL6736896 0.76 POLB (0.47) MAPT
SCHEMBL17729508 0.76 HTR2A (0.39) FEN1ALOX5APHTR2AHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-07 US disclosed
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 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 (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-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors GLRA1, AGXT, B4GALT1 FEN1 4062/4885ALOX5AP 3346/4885HTR2A 1065/4885
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS GLRA1, AGXT, B4GALT1 FEN1 4062/4885ALOX5AP 3346/4885HTR2A 1065/4885

“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.