SCHEMBL31367142

SCHEMBL31367142

COC(=O)[C@@H]1[C@H](CCCB2OC(C)(C)C(C)(C)O2)CC(CBr)N1C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
MITF O75030 1/20 0.37
MAPT P10636 1/20 0.37
HTR2C P28335 1/20 0.37
CPB1 P15086 1/20 0.35
CYP3A4 P08684 6/20 0.34
TSHR P16473 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 4/20 0.34
AGTR2 P50052 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C9 P11712 6/20 0.33
CYP2C19 P33261 6/20 0.33
CYP1A2 P05177 5/20 0.33
CYP2D6 P10635 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31367126 0.92 CPB1 (0.38) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367163 0.92 HTT (0.37) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367131 0.91 HTT (0.36) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367143 0.90 HTT (0.36) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367147 0.89 HTT (0.36) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367144 0.89 HTT (0.36) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367151 0.89 HTR2C (0.43) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367149 0.88 HTT (0.35) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367157 0.87 HTT (0.37) HTTMITFMAPTHTR2CCPB1
SCHEMBL31367156 0.86 CTSL (0.37) HTTMITFMAPTHTR2CCPB1

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 HTT 4329/4885MITF 1998/4885MAPT 4192/4885

“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.