SCHEMBL3776289

SCHEMBL3776289

CC(C)(C)OC(=O)N1CCC(Nc2ncc(C(=O)O)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
USP30 Q70CQ3 1/20 0.48
EPHX1 P07099 1/20 0.48
IDH1 O75874 1/20 0.48
IDH2 P48735 1/20 0.48
GPR119 Q8TDV5 7/20 0.47
ADORA2A P29274 1/20 0.47
JAK1 P23458 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
HPGDS O60760 1/20 0.44

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
SCHEMBL23185880 0.89 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4730700 0.88 HDAC1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30914985 0.88 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3769585 0.88 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30915072 0.86 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3774389 0.86 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31737239 0.86 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2415487 0.86 HCAR3 (0.61) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL17762744 0.85 MAPT (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3775260 0.85 USP30 (0.67) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725787-B1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS INC (US) 2023-11-29 EP disclosed
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2023-11-02 US disclosed
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2023-11-02 US disclosed
US-11702389-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-07-18 US disclosed
US-11702389-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-07-18 US disclosed
US-20210179559-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2021-06-17 US disclosed
US-10968180-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2021-04-06 US disclosed
EP-3292113-B1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2020-07-08 EP disclosed
US-10358421-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-07-23 US disclosed
US-10239837-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-03-26 US disclosed
US-20180022702-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2018-01-25 US disclosed
US-9790180-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2017-10-17 US disclosed
US-20160168093-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2016-06-16 US disclosed
US-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2016-05-19 US disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 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 (10 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-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS GATAD2B, GATAD2A, HDAC2 ALDH1A1 2605/4885NPC1 1504/4885MAPT 636/4885
US-20160168093-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 ALDH1A1 463/4885NPC1 562/4885MAPT 1675/4885
US-20210179559-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 ALDH1A1 463/4885NPC1 562/4885MAPT 1675/4885
US-11702389-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 ALDH1A1 463/4885NPC1 562/4885MAPT 1675/4885
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 ALDH1A1 463/4885NPC1 562/4885MAPT 1675/4885
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 ALDH1A1 2891/4885NPC1 2914/4885MAPT 3965/4885
US-10968180-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 ALDH1A1 463/4885NPC1 562/4885MAPT 1675/4885
US-10239837-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 ALDH1A1 463/4885NPC1 562/4885MAPT 1675/4885
US-10358421-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 ALDH1A1 463/4885NPC1 562/4885MAPT 1675/4885
US-20180022702-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 ALDH1A1 463/4885NPC1 562/4885MAPT 1675/4885

“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.