SCHEMBL23745682

SCHEMBL23745682

Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCCCC3)c3ccc(C(=O)O)cc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
ICMT O60725 1/20 0.38
KHK P50053 1/20 0.38
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
CCR1 P32246 1/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.35
BRD4 O60885 1/20 0.34
MEN1 O00255 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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 SCHEMBL23721920 0.99 CNR1 (0.37) CNR1ICMTKHKTP53KMT2A
SCHEMBL23745455 0.91 IDO1 (0.40) CNR1ICMTKMT2ARAB9ACCR1
SCHEMBL23745464 0.91 CNR1 (0.41) CNR1ICMTKMT2ARAB9ACCR1
SCHEMBL23745802 0.91 CNR1 (0.42) CNR1ICMTTP53KMT2ARAB9A
Hydrochloric Acid SCHEMBL23722056 0.90 IDO1 (0.40) CNR1ICMTKMT2ARAB9ACCR1
Hydrochloric Acid SCHEMBL23722145 0.90 CNR1 (0.41) CNR1ICMTTP53KMT2ARAB9A
SCHEMBL23745461 0.90 CNR1 (0.41) CNR1ICMTTP53KMT2ARAB9A
Hydrochloric Acid SCHEMBL23722020 0.89 CNR1 (0.40) CNR1ICMTTP53KMT2ARAB9A
SCHEMBL23745572 0.86 ICMT (0.41) CNR1ICMTKHKKMT2ARAB9A
Hydrochloric Acid SCHEMBL23721918 0.86 ICMT (0.41) CNR1ICMTKHKKMT2ARAB9A

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 345/4885KHK 2563/4885

“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.