SCHEMBL23564233

SCHEMBL23564233

C[C@@H]1C(=O)N(Cc2ccccc2)[C@@H](C)C[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
BRD4 O60885 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
SMO Q99835 2/20 0.43
FUCA1 P04066 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CAPN1 P07384 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL23564389 1.00 TSHR (0.54) TSHRCYP3A4CYP2C19MAPTMEN1
SCHEMBL23564393 1.00 TSHR (0.54) TSHRCYP3A4CYP2C19MAPTMEN1
SCHEMBL23563775 1.00 TSHR (0.54) TSHRCYP3A4CYP2C19MAPTMEN1
SCHEMBL19290951 0.86 TSHR (0.51) TSHRCYP3A4CYP2C19MAPTMEN1
SCHEMBL23564308 0.84 TSHR (0.50) TSHRCYP3A4CYP2C19MAPTMEN1
SCHEMBL23527035 0.84 TSHR (0.50) TSHRCYP3A4CYP2C19MAPTMEN1
SCHEMBL23527120 0.84 TSHR (0.50) TSHRCYP3A4CYP2C19MAPTMEN1
SCHEMBL23564623 0.84 TSHR (0.50) TSHRCYP3A4CYP2C19MAPTMEN1
SCHEMBL17426060 0.82 EHMT2 (0.51) TSHRCYP3A4CYP2C19MAPTEHMT2
SCHEMBL3601108 0.80 PTGDR2 (0.49) TSHRCYP3A4CYP2C19MAPTMEN1

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
WO-2021133750-A1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 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-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK TSHR 2035/4885CYP3A4 4521/4885CYP2C19 4472/4885

“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.