SCHEMBL19002453

SCHEMBL19002453

CCC(=O)N1CCNC(c2ccccc2OC)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
GSK3B P49841 4/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
DHFR P00374 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
DRD2 P14416 1/20 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
SCHEMBL18947394 0.90 HCRTR1 (0.39) PDE10AGSK3BKMT2AMEN1DHFR
SCHEMBL19049064 0.86 PDE10A (0.48) PDE10AGSK3BKMT2AMEN1
SCHEMBL19002463 0.84 EPHX2 (0.42) KMT2AMEN1CYP2C9
SCHEMBL18947444 0.84 BLM (0.40) KMT2AMEN1
SCHEMBL21901063 0.83 PDE10A (0.46) PDE10AGSK3BKMT2AMEN1
SCHEMBL19002473 0.83 PDE10A (0.46) PDE10AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL18947216 0.82 EPHX2 (0.43) GSK3BKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL19002562 0.82 GSK3B (0.43) GSK3BKMT2AMEN1
SCHEMBL18947393 0.80 BLM (0.37) KMT2AMEN1
SCHEMBL19002456 0.79 BLM (0.47) GSK3BKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 PDE10A 1360/4885GSK3B 294/4885KMT2A 3544/4885

“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.