SCHEMBL3576898

SCHEMBL3576898

CC(C)(C)OC(=O)N1CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
BRD4 O60885 1/20 0.45
CHRM4 P08173 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CREBBP Q92793 2/20 0.43
MPO P05164 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL29631022 1.00 ALDH1A1 (0.45) ALDH1A1BRD4CHRM4DRD2HTR7
SCHEMBL1270523 0.93 CHRM4 (0.50) ALDH1A1BRD4CHRM4DRD2HTR7
SCHEMBL29939759 0.93 CHRM4 (0.50) ALDH1A1BRD4CHRM4DRD2HTR7
SCHEMBL6625750 0.91 LMNA (0.46) ALDH1A1BRD4CHRM4DRD2HTR7
SCHEMBL380901 0.90 KDM4E (0.53) ALDH1A1BRD4KDM4ECREBBPMPO
SCHEMBL30076622 0.90 KDM4E (0.53) ALDH1A1BRD4KDM4ECREBBPMPO
SCHEMBL3565263 0.89 HDAC6 (0.51) ALDH1A1BRD4CHRM4DRD2HTR7
SCHEMBL6851609 0.87 CHRM4 (0.43) ALDH1A1BRD4CHRM4DRD2HTR7
SCHEMBL6851608 0.87 CHRM4 (0.43) ALDH1A1BRD4CHRM4DRD2HTR7
SCHEMBL15074680 0.85 KDM4E (0.58) ALDH1A1BRD4CHRM4DRD2HTR7

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 10 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-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
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
CN-109563094-A Acyclic derivatives, their preparation method and the pharmaceutical composition containing them that new (miscellaneous) aryl replaces 法国施维雅药厂 2019-04-02 CN disclosed
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 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 (3 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 ALDH1A1 170/4885BRD4 1690/4885CHRM4 2294/4885
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CCNK ALDH1A1 1524/4885BRD4 1061/4885CHRM4 4805/4885
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CCNK ALDH1A1 1524/4885BRD4 1061/4885CHRM4 4805/4885

“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.