SCHEMBL2228019

SCHEMBL2228019

O=C(O)N1CCN(c2nccc(Cl)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.58
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A7 Q99884 5/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
ACHE P22303 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL20425052 0.86 PANK3 (0.60) PANK3MEN1KMT2ASLC6A7GAA
SCHEMBL4945954 0.81 SLC6A7 (0.46) SLC6A7GAAACHEALDH1A1TSHR
SCHEMBL15285931 0.81 SLC6A7 (0.66) SLC6A7ACHEALDH1A1HSD17B10KDM4E
SCHEMBL1433109 0.79 ACHE (0.61) PANK3MEN1KMT2ALMNAACHE
SCHEMBL30166226 0.79 ACHE (0.61) PANK3MEN1KMT2ALMNAACHE
SCHEMBL29090664 0.79 PANK3 (0.40) PANK3MEN1KMT2AMAPK1ALDH1A1
SCHEMBL15887424 0.78 PANK3 (0.48) PANK3MEN1KMT2ALMNAACHE
SCHEMBL3509457 0.78 ALDH1A1 (0.47) PANK3ACHEALDH1A1TSHRHSD17B10
SCHEMBL22576020 0.78 PANK3 (0.47) PANK3MEN1KMT2AACHEALDH1A1
SCHEMBL2856220 0.78 GAA (0.61) MEN1KMT2ASLC6A7GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022194248-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF 苏州国匡医药科技有限公司 2022-09-22 WO disclosed
EP-3856737-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-04 EP disclosed
WO-2020064792-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
CN-102666489-B Sphingosine kinase inhibitors MERCK PATENT GMBH 2014-07-23 CN disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
CN-102666489-A Sphingosine kinase inhibitors MERCK PATENT GMBH 2012-09-12 CN disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 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 (2 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-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 PANK3 4197/4885MEN1 4550/4885KMT2A 3684/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B PANK3 3152/4885MEN1 892/4885KMT2A 2762/4885

“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.