SCHEMBL20971223

SCHEMBL20971223

O=c1[nH]cnc2c1ccn2-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.57
▸ GRM5 P41594 1/20 0.48
▸ NSD2 O96028 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ METTL3 Q86U44 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ DPYD Q12882 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ LIPC P11150 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL20971145 0.88 IP6K1 (0.56) IP6K1L3MBTL1MAPTKCNH2SRC
SCHEMBL20971148 0.82 XDH (0.50) MAPTKMT2ALMNAALDH1A1SRC
SCHEMBL20971053 0.81 SRC (0.55) MAPTKMT2ALMNAALDH1A1HPGD
SCHEMBL20971268 0.81 MAPT (0.41) IP6K1ABL1ALOX5METTL3MAPT
SCHEMBL29627437 0.79 PARP1 (0.46) IP6K1ABL1MAPTKMT2ALMNA
SCHEMBL20971105 0.79 DGAT1 (0.43) MAPTKMT2ALMNAKCNH2
SCHEMBL20971017 0.78 MAPT (0.51) ABL1MAPTKMT2ALMNAALDH1A1
SCHEMBL20971117 0.77 KMT2A (0.50) MAPTKMT2ALMNASRC
SCHEMBL20971049 0.77 MAPK9 (0.43) IP6K1MAPTKMT2ALMNAALDH1A1
SCHEMBL20971046 0.77 LMNA (0.58) MAPTKMT2ALMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190144448-A1 PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VERNALIS (R&D) LTD (GB) 2019-05-16 — — US 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

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 IP6K1 1851/4885GRM5 4660/4885NSD2 1348/4885
US-11046681-B2 Substituted piperidines for the treatment of cancer BCL2, MCL1, BCL2A1 IP6K1 1871/4885GRM5 3793/4885NSD2 325/4885
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CCNK IP6K1 1108/4885GRM5 4444/4885NSD2 1124/4885
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CCNK IP6K1 1108/4885GRM5 4444/4885NSD2 1124/4885

“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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