SCHEMBL19232123

SCHEMBL19232123

CCCCCCC(C)c1ncc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
OPRM1 P35372 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
SLC2A1 P11166 1/20 0.31
JAK2 O60674 2/20 0.31
JAK3 P52333 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
SCHEMBL23869504 0.84 NR1I2 (0.34) MAPTLMNASLC2A1
SCHEMBL21346764 0.84 NR1I2 (0.34) MAPTLMNASLC2A1
SCHEMBL19231990 0.82 NPC1 (0.39) GPR84OPRM1SPHK1MAPTLMNA
SCHEMBL19853062 0.82 DNM1 (0.34) MAPTLMNASLC2A1
SCHEMBL22930734 0.80 GPR84 (0.35) GPR84OPRM1SLC2A1
SCHEMBL26078440 0.79 GPR84 (0.40) GPR84OPRM1SPHK1LMNA
SCHEMBL20374383 0.79 GPR84 (0.40) GPR84OPRM1SPHK1LMNA
SCHEMBL18879333 0.78 APLNR (0.40) GPR84
SCHEMBL27814538 0.77 OPRM1 (0.38) GPR84OPRM1LMNA
SCHEMBL19464656 0.77 GPR84 (0.37) GPR84SPHK1SLC2A1

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-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT GPR84 2521/4885OPRM1 2345/4885SPHK1 981/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT GPR84 2521/4885OPRM1 2345/4885SPHK1 981/4885

“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.