SCHEMBL20971105

SCHEMBL20971105

O=c1[nH]cnc2c1ccn2-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.43
▸ XDH P47989 1/20 0.43
▸ PDE10A Q9Y233 4/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ RXRA P19793 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL20971033 0.86 POLB (0.41) PARP1LMNAMAPT
SCHEMBL20971148 0.84 XDH (0.50) XDHLMNAMAPTKMT2A
SCHEMBL20971098 0.83 XDH (0.51) XDHPARP1MAPTKMT2A
SCHEMBL20971117 0.81 KMT2A (0.50) PARP1LMNAMAPTKMT2A
SCHEMBL20971017 0.80 MAPT (0.51) XDHPARP1FLT1KDRLMNA
SCHEMBL20971223 0.79 IP6K1 (0.57) LMNAMAPTKMT2AKCNH2
SCHEMBL20971046 0.79 LMNA (0.58) XDHPARP1LMNAMAPTKMT2A
SCHEMBL17868975 0.79 PIM1 (0.46) PARP1FLT1LMNAMAPTKMT2A
SCHEMBL29627437 0.79 PARP1 (0.46) PARP1FLT1LMNAMAPTKMT2A
SCHEMBL20971053 0.78 SRC (0.55) PARP1LMNAMAPTKMT2A

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
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 — — CN disclosed
US-11046681-B2 Substituted piperidines for the treatment of cancer LES LABORATOIRES SERVIER (FR) 2021-06-29 — — US disclosed
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 — — US disclosed
EP-3468971-B1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-02-19 — — EP disclosed
EP-3468974-B1 NEW PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-02-12 — — EP disclosed
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-05-16 — — US disclosed
US-20190144448-A1 PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VERNALIS (R&D) LTD (GB) 2019-05-16 — — 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 (4 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-20190144448-A1 PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CASP3 DGAT1 4419/4885XDH 2952/4885PDE10A 2715/4885
US-11046681-B2 Substituted piperidines for the treatment of cancer BCL2, MCL1, BCL2A1 DGAT1 3878/4885XDH 3012/4885PDE10A 3756/4885
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CCNK DGAT1 4420/4885XDH 1806/4885PDE10A 3820/4885
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CCNK DGAT1 4420/4885XDH 1806/4885PDE10A 3820/4885

“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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