SCHEMBL23745696

SCHEMBL23745696

Cc1cccc(C(CC(=O)N(C)C2CCNCC2)c2cn(CC3CCCCC3)c3ccc(Br)cc23)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.37
ABCC2 Q92887 1/20 0.36
CNR2 P34972 2/20 0.36
ICMT O60725 1/20 0.36
KRAS P01116 2/20 0.36
KMT2A Q03164 1/20 0.35
CCR5 P51681 3/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK8 P45983 2/20 0.33
CYP19A1 P11511 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL23745504 0.91 CNR1 (0.40) CNR1CNR2ICMTKMT2ACCR5
SCHEMBL23745768 0.86 ABCC2 (0.36) CNR1ABCC2CNR2ICMTKRAS
SCHEMBL23745455 0.86 IDO1 (0.40) CNR1ABCC2CNR2ICMTKRAS
Hydrochloric Acid SCHEMBL23722055 0.85 ABCC2 (0.36) CNR1ABCC2CNR2ICMTCYP19A1
Hydrochloric Acid SCHEMBL23722056 0.85 IDO1 (0.40) CNR1ABCC2CNR2ICMTKRAS
SCHEMBL23745634 0.84 CNR1 (0.36) CNR1ABCC2CNR2ICMTKMT2A
Hydrochloric Acid SCHEMBL23722024 0.83 CNR1 (0.36) CNR1ABCC2CNR2ICMTKMT2A
SCHEMBL23745893 0.81 IDO1 (0.45) CNR1ABCC2CNR2ICMTKRAS
SCHEMBL23722118 0.80 IDO1 (0.42) CNR1ABCC2CNR2ICMTKRAS
SCHEMBL23745799 0.80 SOS1 (0.43) CNR1ABCC2CNR2ICMTKRAS

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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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 (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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 CNR1 1651/4885ABCC2 715/4885CNR2 2528/4885

“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.