SCHEMBL3313868

SCHEMBL3313868

CC(C)(C)OC(=O)N1CCC(Nc2ccc3cnccc3c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
DYRK1A Q13627 1/20 0.54
GPR119 Q8TDV5 6/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
NAMPT P43490 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL29862471 1.00 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMAPTMAPK1
Trifluoroacetic Acid SCHEMBL3318885 0.94 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL3963092 0.83 ALDH1A1 (0.71) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL21473938 0.83 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL1571968 0.83 PRMT3 (0.52) SYK
SCHEMBL3311427 0.82 DYRK1A (0.56) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL3318827 0.82 DYRK1A (0.47) ALDH1A1DYRK1AGPR119CCNA2CDK2
SCHEMBL1876139 0.81 GPR119 (0.65) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL31023936 0.81 GPR119 (0.65) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL3312818 0.81 IDO1 (0.51) GPR119NAMPTSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055014-B1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORP (KR) 2025-04-30 EP disclosed
US-11655235-B2 Pyrrolidine and piperidine compounds YUHAN CORPORATION (KR) 2023-05-23 US disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORPORATION (KR) 2021-05-20 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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 (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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 ALDH1A1 2302/4885NPC1 2272/4885RAB9A 804/4885
US-11655235-B2 Pyrrolidine and piperidine compounds FAP, APC, VHL ALDH1A1 439/4885NPC1 2057/4885RAB9A 868/4885
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS FAP, APC, VHL ALDH1A1 439/4885NPC1 2057/4885RAB9A 868/4885

“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.