SCHEMBL13403149

SCHEMBL13403149

CNC1(C(=O)O)CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRM1 P35372 2/20 0.33
FFAR3 O14843 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
USP5 P45974 1/20 0.33
SCN1A P35498 1/20 0.33

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
SCHEMBL17682927 0.84 CYP1A2 (0.43) KDM4EKMT2ACYP1A2TDP1CA12
SCHEMBL24642378 0.84 SCN1A (0.33) KDM4ECYP1A2TDP1OPRM1FFAR3
SCHEMBL13234198 0.83 KDM4E (0.34) KDM4EKMT2ACYP1A2TDP1CA12
SCHEMBL10280093 0.83 KDM4E (0.57) KDM4EKMT2ACYP1A2TDP1CA12
SCHEMBL14253224 0.83 EPHX2 (0.33) KDM4ECYP1A2TDP1OPRM1FFAR3
SCHEMBL13403150 0.83 KDM4E (0.34) KDM4EKMT2ACYP1A2TDP1CA12
SCHEMBL26512842 0.82 ALDH1A1 (0.44) KDM4EKCNH2USP5
SCHEMBL410868 0.80
SCHEMBL22961936 0.79 PLG (0.35) KDM4EKMT2ACYP1A2TDP1OPRM1
SCHEMBL26522481 0.79 OPRM1 (0.36) KDM4EKMT2ATDP1OPRM1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084847-B2 Polyamide compound and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
WO-2018059331-A1 POLYAMIDE COMPOUND AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 WO disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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 (3 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-11084847-B2 Polyamide compound and use thereof OPRK1, OPRM1, OPRD1 KDM4E 1976/4885KMT2A 464/4885CYP1A2 241/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 KDM4E 199/4885KMT2A 357/4885CYP1A2 427/4885
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A KDM4E 1870/4885KMT2A 1414/4885CYP1A2 3637/4885

“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.