SCHEMBL24916100

SCHEMBL24916100

COc1cnc2c(c1)C(Cl)CCC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ACHE P22303 2/20 0.31
BCHE P06276 1/20 0.31
CHRM1 P11229 1/20 0.31
GID4 Q8IVV7 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MTNR1B P49286 1/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 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
SCHEMBL29923929 0.81 UGT2B17 (0.38) MTNR1B
SCHEMBL24916120 0.81 ACHE (0.37) NOS3NOS1NOS2ACHE
Hydrochloric Acid SCHEMBL29923942 0.80 ACHE (0.36) NOS3NOS1NOS2ACHEBCHE
Hydrochloric Acid SCHEMBL29923527 0.80 ACHE (0.36) NOS3NOS1NOS2ACHEBCHE
SCHEMBL24916199 0.79 MTNR1B (0.32) NOS3NOS1NOS2MTNR1B
SCHEMBL24915886 0.79 MTNR1B (0.32) NOS3NOS1NOS2MTNR1B
SCHEMBL24916201 0.79 HPGDS (0.32) PDGFRBPDGFRANOS3NOS1NOS2
SCHEMBL30228391 0.73 ACHE (0.47) ACHEBCHECHRM1
SCHEMBL9775105 0.71 CHRNA7 (0.50) GID4HTR2AHTR2CHTR2BMTNR1B
SCHEMBL30608165 0.71 CHRNA7 (0.50) GID4HTR2AHTR2CHTR2BMTNR1B

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-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP 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 PDGFRB 4630/4885PDGFRA 4571/4885NOS3 4274/4885

“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.