SCHEMBL3398155

SCHEMBL3398155

Cc1cc(CCC(N)=O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
NR3C2 P08235 8/20 0.46
CAPN1 P07384 1/20 0.42
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CB P42338 1/20 0.40
KCNQ2 O43526 1/20 0.40
UHRF1 Q96T88 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL2961287 0.84 FFAR1 (0.64) FFAR1
SCHEMBL4596387 0.84 FFAR1 (0.49) FFAR1NR3C2KMT2AKCNQ2UHRF1
SCHEMBL8567027 0.82 GABRP (0.47) NR3C2CCNCCDK8KMT2APIK3CB
SCHEMBL23015824 0.81 CYP1A2 (0.50) NR3C2CAPN1ALDH1A1LMNAAURKA
SCHEMBL5361827 0.81 CAPN1 (0.43) NR3C2CAPN1SLC22A12ALDH1A1LMNA
SCHEMBL29658465 0.81 GABRP (0.46) NR3C2CCNCCDK8KMT2APIK3CB
SCHEMBL3129887 0.80 ALDH1A1 (0.41) NR3C2CAPN1ALDH1A1LMNAAURKA
SCHEMBL3129593 0.79 CAPN1 (0.42) NR3C2CAPN1ALDH1A1LMNAAURKA
SCHEMBL3129466 0.79 CYP4F2 (0.42) NR3C2CAPN1SLC22A12AURKA
SCHEMBL3121398 0.79 CAPN1 (0.42) NR3C2CAPN1ALDH1A1LMNAAURKA

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
WO-2018069468-A1 BENZOTHIAZOLE DERIVATIVES AS DYRK1 INHIBITORS PHARMASUM THERAPEUTICS AS (NO) 2018-04-19 WO disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 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 (1 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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 FFAR1 226/4885NR3C2 1382/4885CAPN1 2558/4885

“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.