SCHEMBL23579491

SCHEMBL23579491

C[C@@H]1CN(C(=O)O)[C@@H](C)CN1C(C(=O)NCC(F)F)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CACNA1B Q00975 3/20 0.34
▸ DPP8 Q6V1X1 3/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL29995614 0.86 TACR1 (0.37) MEN1KMT2A
SCHEMBL25327867 0.84 MAPK14 (0.37) CACNA1BDPP8MAPK14DPP4DPP7
SCHEMBL21831016 0.84 MAPK14 (0.37) CACNA1BDPP8MAPK14DPP4DPP7
SCHEMBL23579037 0.81 SIGMAR1 (0.47) CYP2D6FAAHCYP3A4TSHRALOX12
SCHEMBL21831526 0.81 ALDH1A1 (0.38) TSHRMEN1KMT2ASIGMAR1MAPK14
SCHEMBL25328216 0.80 MAPK14 (0.37) CACNA1BDPP8MAPK14KCNH2DPP4
SCHEMBL21831810 0.80 MAPK14 (0.37) CACNA1BDPP8MAPK14KCNH2DPP4
SCHEMBL21831643 0.80 L3MBTL1 (0.36) MEN1KMT2AMAPK14
SCHEMBL25327588 0.80 L3MBTL1 (0.36) MEN1KMT2AMAPK14
SCHEMBL25327934 0.78 MAPK14 (0.33) CYP2D6FAAHCYP3A4TSHRALOX12

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-20230118629-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 — — US disclosed
WO-2021133749-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 — — WO 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-20230118629-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG CYP2D6 4479/4885FAAH 3325/4885CYP3A4 4788/4885

“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.

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