SCHEMBL23745657

SCHEMBL23745657

Cc1cccc(C(CC(=O)NCCC2CCNCC2)c2cn(CC3CCCCC3)c3ccc(F)cc23)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.40
ICMT O60725 2/20 0.36
PLK1 P53350 1/20 0.35
CNR2 P34972 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
FAAH O00519 1/20 0.34
PTGS2 P35354 1/20 0.34
CHRM3 P20309 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 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
Hydrochloric Acid SCHEMBL23721970 0.99 CNR1 (0.41) CNR1ICMTPLK1CNR2OPRM1
SCHEMBL23745634 0.91 CNR1 (0.36) CNR1ICMTCNR2ITGB3ITGA2B
SCHEMBL23745824 0.91 CNR1 (0.42) CNR1ICMTITGB3ITGA2BCACNA2D1
Hydrochloric Acid SCHEMBL23722024 0.91 CNR1 (0.36) CNR1ICMTCNR2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL23722072 0.90 CNR1 (0.42) CNR1ICMTITGB3ITGA2BCACNA2D1
SCHEMBL23745464 0.89 CNR1 (0.41) CNR1ICMTCNR2OPRM1OPRK1
SCHEMBL23745574 0.87 ICMT (0.40) CNR1ICMTITGB3ITGA2BCACNA2D1
Hydrochloric Acid SCHEMBL23721873 0.86 ICMT (0.39) CNR1ICMTITGB3ITGA2BCACNA2D1
SCHEMBL23745794 0.86 MAPT (0.40) CNR1CNR2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL23721864 0.85 MAPT (0.40) CNR1CNR2ITGB3ITGA2B

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 1651/4885ICMT 345/4885PLK1 2605/4885

“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.