SCHEMBL21798770

SCHEMBL21798770

NC(=O)N(C1CCCNC1)C1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
SLC6A1 P30531 2/20 0.44
SLC6A11 P48066 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A13 Q9NSD5 1/20 0.44
APLNR P35414 2/20 0.42
NOS2 P35228 1/20 0.42
SLC6A2 P23975 10/20 0.41
SLC6A4 P31645 10/20 0.41
SLC6A3 Q01959 5/20 0.41
KCNH2 Q12809 3/20 0.41
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
ALOX5 P09917 1/20 0.34

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
SCHEMBL3901133 0.88 SLC6A2 (0.41) CYP2D6KDM4EMAPTKMT2AATM
SCHEMBL17699940 0.78 SLC6A1 (0.47) CYP2D6KDM4EMAPTKMT2AATM
SCHEMBL9547539 0.78 ALOX5 (0.44) KDM4EKMT2ATSHRLMNANOS2
SCHEMBL31607259 0.77 SLC6A2 (0.43) CYP2D6KDM4EMAPTKMT2AATM
SCHEMBL28715568 0.77 KDM4E (0.44) CYP2D6KDM4EMAPTKMT2AATM
SCHEMBL27624686 0.76 SLC6A4 (0.42) CYP2D6KDM4EMAPTKMT2AATM
SCHEMBL2170733 0.75 ALOX5 (0.43) KDM4EKMT2ATSHRLMNAALOX5
SCHEMBL27623406 0.74 SLC6A1 (0.47) CYP2D6KDM4EMAPTKMT2AATM
SCHEMBL27830314 0.74 SLC6A1 (0.47) CYP2D6KDM4EMAPTKMT2AATM
SCHEMBL27809861 0.74 SLC6A1 (0.47) CYP2D6KDM4EMAPTKMT2AATM

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
EP-3626702-B1 CARBONATE DERIVATIVE PRODUCTION METHOD UNIV KOBE NAT UNIV CORP (JP) 2023-02-15 EP disclosed
US-11130728-B2 Carbonate derivative production method NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2021-09-28 US disclosed
EP-3626702-A1 CARBONATE DERIVATIVE PRODUCTION METHOD National University Corporation Kobe University (JP) 2020-03-25 EP disclosed
US-20200079723-A1 CARBONATE DERIVATIVE PRODUCTION METHOD NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2020-03-12 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-20200079723-A1 CARBONATE DERIVATIVE PRODUCTION METHOD CA4, CA14, CA3 CYP2D6 408/4885KDM4E 1285/4885MAPT 4458/4885
US-11130728-B2 Carbonate derivative production method CA4, CA14, CA3 CYP2D6 408/4885KDM4E 1285/4885MAPT 4458/4885

“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.