SCHEMBL19965627

SCHEMBL19965627

CCCCCCC(CCCC)c1cnc(OCC)nc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.36
NR1I2 O75469 1/20 0.35
DNM1 Q05193 2/20 0.32
ACACB O00763 1/20 0.32
OPRM1 P35372 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19464657 0.98 SLC2A1 (0.36) SLC2A1NR1I2ACACBOPRM1MAPT
SCHEMBL19232032 0.95 SLC2A1 (0.35) SLC2A1NR1I2ACACBOPRM1MAPT
SCHEMBL24804934 0.92 NR1I2 (0.43) SLC2A1NR1I2ACACBOPRM1MAPT
SCHEMBL19464598 0.92 NR1I2 (0.43) SLC2A1NR1I2ACACBOPRM1MAPT
SCHEMBL19987499 0.88 NR1I2 (0.36) NR1I2ACACB
SCHEMBL19987473 0.87 ITGB3 (0.38) SLC2A1NR1I2DNM1
SCHEMBL19987455 0.87 ITGB3 (0.38) SLC2A1NR1I2DNM1
SCHEMBL19231976 0.85 ITGB3 (0.39) SLC2A1NR1I2
SCHEMBL19231975 0.85 ITGB3 (0.39) SLC2A1NR1I2
SCHEMBL19231971 0.83 SLC2A1 (0.36) SLC2A1ACACBOPRM1MAPTHTT

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-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT SLC2A1 1906/4885NR1I2 1266/4885DNM1 3021/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT SLC2A1 1906/4885NR1I2 1266/4885DNM1 3021/4885

“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.