SCHEMBL24916201

SCHEMBL24916201

COc1cnc2c(c1)C(C(C)(C)C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
GRM7 Q14831 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
PDK2 Q15119 1/20 0.30
GID4 Q8IVV7 1/20 0.30

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
SCHEMBL24916120 0.79 ACHE (0.37) NOS3NOS1NOS2
SCHEMBL24916100 0.79 PDGFRB (0.34) CDK5CDK5R1CCNA2CDK2MTNR1B
SCHEMBL29923929 0.79 UGT2B17 (0.38) NQO2MTNR1AMTNR1BPDK2
Hydrochloric Acid SCHEMBL29923942 0.78 ACHE (0.36) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL29923527 0.78 ACHE (0.36) NOS3NOS1NOS2
SCHEMBL24915886 0.77 MTNR1B (0.32) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL24916199 0.77 MTNR1B (0.32) MTNR1AMTNR1BNOS3NOS1NOS2
SCHEMBL24916200 0.73 CHRNA7 (0.48) NQO2MTNR1AMTNR1BGID4
SCHEMBL29923310 0.72 MTNR1A (0.32) NQO2MTNR1AMTNR1BKDM2B
SCHEMBL24336496 0.70 DRD2 (0.37) PDK2

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 HPGDS 2697/4885CDK5 24/4885CDK5R1 45/4885

“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.