SCHEMBL5553255

SCHEMBL5553255

N#CC(=C1CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SIGMAR1 Q99720 3/20 0.50
ALDH1A1 P00352 4/20 0.48
KCNA3 P22001 1/20 0.46
KDM4E B2RXH2 1/20 0.46
OPRM1 P35372 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR3 P51677 1/20 0.44
MC4R P32245 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
SCHEMBL5395547 0.90 ALDH1A1 (0.56) KMT2AMEN1SIGMAR1ALDH1A1KDM4E
SCHEMBL10967640 0.90 LMNA (0.55) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL546987 0.90 MEN1 (0.49) KMT2AMEN1SIGMAR1KDM4E
SCHEMBL13962874 0.88 SIGMAR1 (0.54) KMT2AMEN1SIGMAR1ALDH1A1KDM4E
SCHEMBL13962841 0.87 CHRM2 (0.51) KMT2AMEN1SIGMAR1ALDH1A1KDM4E
SCHEMBL13962938 0.85 MEN1 (0.56) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL13962943 0.84 MEN1 (0.46) KMT2AMEN1SIGMAR1ALDH1A1KCNA3
SCHEMBL2079886 0.83 CHRNB2 (0.42) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL13962854 0.82 MEN1 (0.55) KMT2AMEN1ALDH1A1OPRM1LMNA
SCHEMBL10967944 0.81 HTT (0.54) KMT2AMEN1SIGMAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4274572-B1 NOVEL INHIBITORS OF AUTOTAXIN ZYDUS LIFESCIENCES LTD (IN) 2026-02-18 EP disclosed
EP-4599849-A2 NOVEL INHIBITORS OF AUTOTAXIN Zydus Lifesciences Limited (IN) 2025-08-13 EP disclosed
US-20240327407-A1 NOVEL INHIBITORS OF AUTOTAXIN ZYDUS LIFESCIENCES LIMITED (IN) 2024-10-03 US disclosed
EP-4274572-A1 NOVEL INHIBITORS OF AUTOTAXIN Zydus Lifesciences Limited (IN) 2023-11-15 EP disclosed
CN-116806150-A Novel autotaxin inhibitors 载度思生命科学有限公司 2023-09-26 CN disclosed
WO-2022149010-A1 NOVEL INHIBITORS OF AUTOTAXIN CADILA HEALTHCARE LIMITED (IN) 2022-07-14 WO disclosed
WO-2022149010-A1 NOVEL INHIBITORS OF AUTOTAXIN CADILA HEALTHCARE LIMITED (IN) 2022-07-14 WO disclosed
CN-109415337-B Piperidine as multiple endocrine adenoma protein inhibitor 密执安大学评议会 2022-01-18 CN disclosed
EP-3452461-B1 PIPERIDINES AS MENIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-09-08 EP disclosed
US-20210198237-A1 PIPERIDINES AS MENIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-07-01 US disclosed
US-10899738-B2 Piperidines as menin inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-01-26 US disclosed
US-20190152947-A1 PIPERIDINES AS MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-23 US disclosed
EP-3452461-A1 PIPERIDINES AS MENIN INHIBITORS The Regents Of The University Of Michigan Office Of Technology Transfer (US) 2019-03-13 EP disclosed
WO-2017192543-A1 PIPERIDINES AS MENIN INHIBITORS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-11-09 WO disclosed
EP-1292596-B1 1,3,8-TRIAZA-SPIRO¬4,5 DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
EP-1292596-A1 1,3,8-TRIAZA-SPIRO[4,5]DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-19 EP disclosed
US-6482829-B2 CENTRAL NERVOUS SYSTEM DISORDERS; HEEADACHES, ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-20020006932-A1 Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 US disclosed
WO-2001094346-A1 1,3,8-TRIAZA-SPIRO'4,5!DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-12-13 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 (5 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-20210198237-A1 PIPERIDINES AS MENIN INHIBITORS MEN1, WFS1, BRCA1 KMT2A 977/4885MEN1 1/4885SIGMAR1 2654/4885
US-10899738-B2 Piperidines as menin inhibitors MEN1, GDI2, GNAQ KMT2A 1040/4885MEN1 1/4885SIGMAR1 2667/4885
US-20190152947-A1 PIPERIDINES AS MENIN INHIBITORS MEN1, GDI2, GNAQ KMT2A 1040/4885MEN1 1/4885SIGMAR1 2667/4885
US-20020006932-A1 Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor TACR1, TACR2, NPR1 KMT2A 1934/4885MEN1 973/4885SIGMAR1 13/4885
US-20240327407-A1 NOVEL INHIBITORS OF AUTOTAXIN ENPP2, ATXN10, SPINT2 KMT2A 1997/4885MEN1 1526/4885SIGMAR1 3282/4885

“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.