SCHEMBL21844094

SCHEMBL21844094

COC(=O)c1ccn2c1CN(CC(=O)OCc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21809822 0.83 HTT (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL14446963 0.78 ALDH1A1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL24251635 0.76 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL14470269 0.74 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL25001507 0.73 ALDH1A1 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL3569051 0.73 ALDH1A1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL17921387 0.73 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL24027122 0.73 ALDH1A1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL1127697 0.73 PPARG (0.58) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL15985781 0.73 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 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 (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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP MEN1 4740/4885KMT2A 4016/4885ALDH1A1 3850/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP MEN1 4740/4885KMT2A 4016/4885ALDH1A1 3850/4885

“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.