SCHEMBL18934853

SCHEMBL18934853

CC(C)NC(=O)C1(N)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
GHSR Q92847 2/20 0.37
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ALDH1A1 P00352 1/20 0.34
KHK P50053 1/20 0.34
CTSC P53634 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL13656745 0.86 ALDH1A1 (0.39) CYP1A2KMT2AALDH1A1CTSCKCNH2
SCHEMBL23197951 0.84 ALDH1A1 (0.38) CYP1A2KMT2AALDH1A1CTSCKCNH2
SCHEMBL22519410 0.80 CYP1A2 (0.37) CYP1A2KMT2AKDM4ECHRM5CHRM3
SCHEMBL23866631 0.80 CYP1A2 (0.37) CYP1A2KMT2AKDM4ECHRM5CHRM3
SCHEMBL25221272 0.78 CYP1A2 (0.49) CYP1A2KMT2AKDM4ECHRM5CHRM3
SCHEMBL18934852 0.78 KDM4E (0.48) CYP1A2KMT2AKDM4EGHSRDPP9
Hydrochloric Acid SCHEMBL25218542 0.77 CYP1A2 (0.47) CYP1A2KMT2AKDM4ECHRM5CHRM3
SCHEMBL6008945 0.76 KMT2A (0.56) CYP1A2KMT2AKDM4ECHRM5CHRM3
SCHEMBL17997419 0.76 CYP1A2 (0.46) CYP1A2KMT2AKDM4ECHRM5CHRM3
SCHEMBL18390291 0.74 CYP1A2 (0.45) CYP1A2KMT2AKDM4ECHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 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 (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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS CYP1A2 4882/4885KMT2A 3584/4885KDM4E 3955/4885

“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.