SCHEMBL23579037

SCHEMBL23579037

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.47
▸ SLC1A2 P43004 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ 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
▸ APOL1 O14791 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.34
▸ MLNR O43193 2/20 0.34
▸ ACACB O00763 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
SCHEMBL23599583 0.82 SLC1A2 (0.45) SIGMAR1SLC1A2KCNH2CYP3A4FAAH
SCHEMBL23579491 0.81 CYP2D6 (0.35) SIGMAR1SLC1A2KCNH2CYP3A4FAAH
SCHEMBL21911488 0.81 SIGMAR1 (0.48) SIGMAR1CYP3A4FAAHCYP2D6TSHR
SCHEMBL21910398 0.80 SIGMAR1 (0.48) SIGMAR1MEN1KMT2A
SCHEMBL21910678 0.79 SIGMAR1 (0.41) SIGMAR1MEN1KMT2AMLNR
SCHEMBL25896635 0.78 SIGMAR1 (0.49) SIGMAR1MEN1KMT2A
SCHEMBL29995614 0.77 TACR1 (0.37) MEN1KMT2A
SCHEMBL23579494 0.76 SIGMAR1 (0.46) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL21910684 0.73 SIGMAR1 (0.46) SIGMAR1KCNH2
SCHEMBL23578731 0.73 MAPT (0.54) SIGMAR1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454531-B2 Substituted piperazine derivatives useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-28 — — US disclosed
CN-115175907-B Substituted piperazine derivatives useful as T cell activators 百时美施贵宝公司 2024-08-02 — — CN disclosed
US-20230118629-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 — — US disclosed
US-20230118629-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 — — US disclosed
CN-115175907-A Substituted piperazine derivatives useful as T cell activators 百时美施贵宝公司 2022-10-11 — — CN disclosed
WO-2021133749-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 — — WO 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 (2 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 SIGMAR1 2423/4885SLC1A2 4407/4885KCNH2 1145/4885
US-12454531-B2 Substituted piperazine derivatives useful as T cell activators DGKZ, DGKA, DGKG SIGMAR1 2423/4885SLC1A2 4407/4885KCNH2 1145/4885

“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