SCHEMBL31367121

SCHEMBL31367121

COC(=O)[C@]1(C)[C@H](CCCB2OC(C)(C)C(C)(C)O2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 1/20 0.38
PREP P48147 2/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HTR2C P28335 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FKBP1A P62942 1/20 0.35
GRIN2B Q13224 1/20 0.34

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
SCHEMBL21358248 0.87 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL21360074 0.86 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL21360073 0.86 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL21358594 0.86 NPC1 (0.36) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL31367138 0.79 ELANE (0.48) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL7399283 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL22118726 0.76 TP53 (0.40) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL31367114 0.76 TP53 (0.40) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL21367041 0.76 TP53 (0.40) SMN1; SMN2NPC1RAB9AHTTPREP
SCHEMBL26099378 0.76 MEN1 (0.38) SMN1; SMN2NPC1RAB9AHTTNPSR1

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-12215116-B2 Arginase inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-02-04 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-12215116-B2 Arginase inhibitors and methods of use ARG1, ARG2, PRMT1 SMN1; SMN2 2527/4885NPC1 516/4885RAB9A 2029/4885

“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.