SCHEMBL23564310

SCHEMBL23564310

Cn1c(=O)nc(N2CC[C@@H](Oc3cccc(C(F)(F)F)c3)[C@H](O)C2)c2nc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGKZ Q13574 9/20 0.43
▸ DGKA P23743 2/20 0.38
▸ SCD O00767 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ ACSL1 P33121 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 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
SCHEMBL30900942 1.00 DGKZ (0.43) DGKZDGKASCDTRPA1TRPV1
SCHEMBL23526938 1.00 DGKZ (0.43) DGKZDGKASCDTRPA1TRPV1
SCHEMBL23527052 0.90 DGKZ (0.43) DGKZDGKASCDTRPA1TRPV1
SCHEMBL30900998 0.90 DGKZ (0.43) DGKZDGKASCDTRPA1TRPV1
SCHEMBL23527134 0.90 DGKZ (0.43) DGKZDGKASCDTRPA1TRPV1
SCHEMBL30900943 0.88 DGKZ (0.47) DGKZDGKA
SCHEMBL23564388 0.88 DGKZ (0.47) DGKZDGKA
SCHEMBL23527125 0.88 DGKZ (0.47) DGKZDGKA
SCHEMBL23600164 0.87 SCD (0.47) DGKZDGKASCDACSL1MEN1
SCHEMBL23564307 0.79 DGKZ (0.48) DGKZDGKA

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 DGKZ 2/4885DGKA 1/4885SCD 2447/4885

“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.

Send feedback