SCHEMBL21614219

SCHEMBL21614219

Cc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)cn2C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MTNR1B P49286 4/20 0.54
NQO2 P16083 3/20 0.54
SPR P35270 1/20 0.53
CDK2 P24941 1/20 0.48
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GFER P55789 1/20 0.42
BRD4 O60885 1/20 0.41
HTR1D P28221 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SNCA P37840 1/20 0.41
POLB P06746 1/20 0.40
PTGER4 P35408 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
SCHEMBL21614208 0.91 CDK2 (0.48) MTNR1AMTNR1BNQO2SPRCDK2
SCHEMBL6577287 0.88 NQO2 (0.47) MTNR1AMTNR1BNQO2SPRCDK2
SCHEMBL21614215 0.87 SNCA (0.53) MTNR1AMTNR1BNQO2SPRCDK2
SCHEMBL21614209 0.87 MTNR1A (0.53) MTNR1AMTNR1BNQO2SPRCDK2
SCHEMBL29657293 0.87 NQO2 (0.53) MTNR1AMTNR1BNQO2SPRCDK2
SCHEMBL24453122 0.87 NQO2 (0.53) MTNR1AMTNR1BNQO2SPRCDK2
SCHEMBL21614211 0.86 MTNR1A (0.73) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL21614242 0.85 NQO2 (0.51) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL21614223 0.84 NR4A2 (0.51) MTNR1AMTNR1BNQO2SPRCDK2
SCHEMBL14550631 0.84 KMT2A (0.53) MTNR1AMTNR1BNQO2TP53MEN1

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-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof UNIV JINAN (CN) 2022-05-26 US disclosed
WO-2020007017-A1 CHIRAL BISAMINO-ETHER COMPOUNDS, AND METHOD OF PREPARATION AND USE THEREOF JINAN UNIVERSITY (CN) 2020-01-09 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-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof FHIT, BCAT1, BCAT2 MTNR1A 4243/4885MTNR1B 4337/4885NQO2 1197/4885

“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.