SCHEMBL19839930

SCHEMBL19839930

CCn1c(CN2CCC[C@@H]2[C@H]2CCCN2Cc2nc3ccccc3n2CC)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GRM2 Q14416 1/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL26337928 0.83 GRM2 (0.59) LMNASMN1; SMN2KMT2AGRM2PKM
SCHEMBL30679003 0.83 GRM2 (0.59) LMNASMN1; SMN2KMT2AGRM2PKM
SCHEMBL12728853 0.80 KDM4E (0.73) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL4152030 0.76 GRM2 (0.75) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL31183018 0.75 MEN1 (0.68) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL4155796 0.75 MEN1 (0.68) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2900203 0.74 MEN1 (0.66) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL20371574 0.74 KDM4E (0.68) KDM4EHTTMAPTLMNASMN1; SMN2
Iodide SCHEMBL2892303 0.73 MEN1 (0.64) KDM4EHTTMAPTLMNASMN1; SMN2
Iodide SCHEMBL2900263 0.73 MEN1 (0.64) KDM4EHTTMAPTLMNASMN1; SMN2

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
US-11708341-B2 Synthesis of (S)-2-amino-4-methyl-((R)-2-methyloxirane-2-yl)-pentan-1-one and pharmaceutically acceptable salts thereof AMGEN INC. 2023-07-25 US disclosed
US-11708341-B2 Synthesis of (S)-2-amino-4-methyl-((R)-2-methyloxirane-2-yl)-pentan-1-one and pharmaceutically acceptable salts thereof AMGEN INC. 2023-07-25 US disclosed
US-11708341-B2 Synthesis of (S)-2-amino-4-methyl-((R)-2-methyloxirane-2-yl)-pentan-1-one and pharmaceutically acceptable salts thereof AMGEN INC. 2023-07-25 US disclosed
US-20210284617-A1 Synthesis of (S)-2-Amino-4-Methyl-((R)-2-Methyloxirane-2-Yl)-Pentan-1-One and Pharmaceutically Acceptable Salts Thereof AMGEN INC. 2021-09-16 US disclosed
US-20210284617-A1 Synthesis of (S)-2-Amino-4-Methyl-((R)-2-Methyloxirane-2-Yl)-Pentan-1-One and Pharmaceutically Acceptable Salts Thereof AMGEN INC. 2021-09-16 US disclosed
EP-3494108-B1 SYNTHESIS OF (S)-2-AMINO-4-METHYL-1-((R)-2-METHYLOXIRANE-2-YL)-PENTAN-1-ONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AMGEN INC (US) 2020-10-28 EP disclosed
EP-3494108-A1 SYNTHESIS OF (S)-2-AMINO-4-METHYL-1-((R)-2-METHYLOXIRANE-2-YL)-PENTAN-1-ONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Amgen Inc. (US) 2019-06-12 EP disclosed
WO-2018027021-A1 SYNTHESIS OF (S)-2-AMINO-4-METHYL-1-((R)-2-METHYLOXIRANE-2-YL)-PENTAN-1-ONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AMGEN INC. (US) 2018-02-08 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-20210284617-A1 Synthesis of (S)-2-Amino-4-Methyl-((R)-2-Methyloxirane-2-Yl)-Pentan-1-One and Pharmaceutically Acceptable Salts Thereof EPOR, KDM5A, PSMA5 KDM4E 24/4885HTT 3848/4885MAPT 4106/4885
US-11708341-B2 Synthesis of (S)-2-amino-4-methyl-((R)-2-methyloxirane-2-yl)-pentan-1-one and pharmaceutically acceptable salts thereof EPOR, KDM5A, PSMA5 KDM4E 24/4885HTT 3848/4885MAPT 4106/4885

“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.