SCHEMBL23745669

SCHEMBL23745669

COc1cccc(C(CC(=O)NCCC2CCNCC2)c2cn(Cc3ccccc3)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.45
BCHE P06276 3/20 0.45
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
CHRM4 P08173 2/20 0.43
PLA2G2A P14555 1/20 0.42
ROCK2 O75116 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40

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 SCHEMBL23721994 0.99 ACHE (0.44) ACHEBCHEMTNR1AMTNR1BCHRM4
SCHEMBL23745452 0.90 BCHE (0.42) ACHEBCHEROCK2MAPT
Hydrochloric Acid SCHEMBL22439438 0.89 BCHE (0.42) ACHEBCHEROCK2MAPT
SCHEMBL23745692 0.84 LMNA (0.42) ACHEBCHEMAPT
Hydrochloric Acid SCHEMBL23721860 0.83 LMNA (0.41) ACHEBCHEMAPT
SCHEMBL23745498 0.83 MTNR1A (0.45) ACHEBCHEMTNR1AMTNR1BPLA2G2A
Hydrochloric Acid SCHEMBL23721926 0.82 MTNR1A (0.45) ACHEMTNR1AMTNR1BPLA2G2AMAPT
SCHEMBL23745756 0.82 USP2 (0.42) MAPT
SCHEMBL23745526 0.82 ITGB3 (0.38) ACHEBCHEROCK2MAPT
SCHEMBL23745574 0.81 ICMT (0.40) ACHEBCHEROCK2MAPT

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 ACHE 813/4885BCHE 953/4885MTNR1A 4020/4885

“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.