SCHEMBL7919861

SCHEMBL7919861

C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
DRD2 P14416 4/20 0.48
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
MAPT P10636 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
KCNA3 P22001 1/20 0.45
SCN9A Q15858 1/20 0.43
EPHX2 P34913 1/20 0.43
CTSK P43235 2/20 0.43
DRD3 P35462 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
CCR5 P51681 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL12381737 1.00 KMT2A (0.60) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL30843796 1.00 KMT2A (0.60) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL28529567 1.00 KMT2A (0.60) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL8869835 0.89 KMT2A (0.61) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL9308794 0.89 KMT2A (0.61) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL8566009 0.89 KMT2A (0.61) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL16022317 0.89 KMT2A (0.61) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL18210040 0.86 KMT2A (0.58) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL25594206 0.86 KMT2A (0.58) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL25594208 0.86 KMT2A (0.58) KMT2AL3MBTL1DRD2KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759535-B Preparation method of PF-06651600 intermediate 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-115894338-B Method for preparing Ritlecritinib intermediate by chemical-biological enzyme coupling 华南理工大学 2024-02-13 CN disclosed
CN-115894338-A Method for preparing Ritlecetinib intermediate by coupling chemical enzyme and biological enzyme 华南理工大学 2023-04-04 CN disclosed
CN-112759535-A Preparation method of PF-06651600 intermediate 广东东阳光药业有限公司 2021-05-07 CN disclosed
US-8710076-B2 2,5-disubstituted piperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-29 US disclosed
US-8710076-B2 2,5-disubstituted piperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-29 US disclosed
US-20110201632-A1 2,5-Disubstituted Piperidine Orexin Rceptor Antagonists MERCK SHARP & DOHME LLC 2011-08-18 US disclosed
WO-2010048012-A1 2,5-DISUBSTITUTED PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 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 (1 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-20110201632-A1 2,5-Disubstituted Piperidine Orexin Rceptor Antagonists HCRTR2, HCRTR1, CRHR2 KMT2A 846/4885L3MBTL1 4615/4885DRD2 83/4885

“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.