SCHEMBL18935522

SCHEMBL18935522

Cc1ccc2c(ccn2CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.51
MTNR1B P49286 6/20 0.51
MAPK1 P28482 3/20 0.46
BRD4 O60885 1/20 0.45
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL18935520 0.92 BRD4 (0.49) MTNR1AMTNR1BBRD4CCNCCDK8
SCHEMBL3417837 0.87 MTNR1A (0.50) MTNR1AMTNR1BMAPK1BRD4USP2
SCHEMBL18917701 0.85 MTNR1A (0.48) MTNR1AMTNR1BMAPK1USP2CYP1A2
SCHEMBL9009161 0.84 MTNR1A (0.47) MTNR1AMTNR1BMAPK1CYP1A2CYP3A4
SCHEMBL3414187 0.84 BRD4 (0.49) MTNR1AMTNR1BMAPK1BRD4SMN1; SMN2
SCHEMBL23116611 0.84 MAPK1 (0.67) MTNR1AMTNR1BMAPK1USP2CYP1A2
SCHEMBL31130021 0.82 MTNR1A (0.44) MTNR1AMTNR1BMAPK1BRD4CYP1A2
SCHEMBL3414185 0.82 MTNR1A (0.46) MTNR1AMTNR1BMAPK1BRD4USP2
SCHEMBL21389502 0.81 DRD2 (0.42) BRD4CCNCCDK8ALDH1A1
SCHEMBL20436342 0.81 HTR2A (0.45) MTNR1AMTNR1BHTR2AHTR2CLMNA

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 MTNR1A 3940/4885MTNR1B 3925/4885MAPK1 277/4885

“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.