SCHEMBL3265355

SCHEMBL3265355

COC(=O)N[C@H](C(=O)N1c2ccccc2CC1C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 5/20 0.52
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ACE P12821 3/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL15765599 0.87 NOTUM (0.53) XIAPLMNAALDH1A1MAPT
SCHEMBL10292602 0.87 NOTUM (0.53) XIAPLMNAALDH1A1MAPT
SCHEMBL7814933 0.85 XIAP (0.59) XIAPACE
SCHEMBL18653164 0.84 XIAP (0.50) XIAPDRD2DRD4FNTAFNTB
SCHEMBL18653162 0.80 MEN1 (0.49) XIAPDRD2DRD4LMNAALDH1A1
SCHEMBL16465568 0.75 XIAP (0.56) XIAPACE
SCHEMBL9409863 0.75 XIAP (0.56) XIAPACE
SCHEMBL9409870 0.75 XIAP (0.56) XIAPACE
SCHEMBL16464700 0.75 XIAP (0.56) XIAPACE
SCHEMBL13210097 0.75 NOTUM (0.64) DRD2DRD4ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 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 (9 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885DRD2 4082/4885DRD4 2788/4885

“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.