SCHEMBL5357288

SCHEMBL5357288

Oc1cccc(C2CCCCN2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNA4 P43681 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL10887373 0.98 MEN1 (0.53) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL4280772 0.95 CHRNB2 (0.53) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Acetic Acid SCHEMBL5682952 0.91 MEN1 (0.47) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL9288928 0.82 KDM4E (0.39) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL27592884 0.82 MEN1 (0.47) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL22430824 0.79 MEN1 (0.54) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL30551214 0.79 MEN1 (0.54) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL8764343 0.79 MEN1 (0.54) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL552184 0.79 MEN1 (0.54) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL468999 0.79 MEN1 (0.54) MEN1CYP2D6CYP2C19KMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221785-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VERNALIS (R&D) LTD (GB) 2021-07-22 US disclosed
EP-3818054-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2021-05-12 EP disclosed
CN-112368276-A Amino-pyrimidinone derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-02-12 CN disclosed
WO-2020008013-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-01-09 WO disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
EP-0600952-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME (GB) 1996-04-17 EP disclosed
US-5459270-A Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders MERCK SHARP & DOHME LIMITED (GB) 1995-10-17 US disclosed
EP-0600952-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. MERCK SHARP & DOHME (GB) 1994-06-15 EP disclosed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO disclosed
CN-1017992-B PROCESS FOR PREPARING PIPERIDINE OPIOID ANTAGONISTS LILLY CO ELI (US) 1992-08-26 CN disclosed
CN-88102191-A Process for preparing piperidine opioid antagonists 1988-11-02 CN 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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD MEN1 4872/4885CYP2D6 2812/4885CYP2C19 1799/4885
US-20210221785-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DHFR, QDPR, DPYD MEN1 1778/4885CYP2D6 43/4885CYP2C19 16/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD MEN1 4872/4885CYP2D6 2812/4885CYP2C19 1799/4885

“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.