SCHEMBL23745563

SCHEMBL23745563

COc1cc(C)cc(C(CC(=O)N[C@H]2CC[C@H](N)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
MAPT P10636 4/20 0.38
CNR2 P34972 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
MEN1 O00255 1/20 0.36
CCR1 P32246 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35

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 SCHEMBL23722192 0.99 CNR1 (0.39) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745647 0.95 CNR1 (0.41) CNR1MAPTCNR2RXFP1KMT2A
Hydrochloric Acid SCHEMBL23722205 0.95 CNR1 (0.41) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745557 0.91 MAPT (0.43) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745560 0.91 MAPT (0.43) CNR1MAPTCNR2RXFP1KMT2A
Hydrochloric Acid SCHEMBL23721971 0.90 MAPT (0.43) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745533 0.89 CNR1 (0.40) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745531 0.89 CNR1 (0.40) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745575 0.88 CNR1 (0.42) CNR1MAPTKMT2ALMNATP53
SCHEMBL23745594 0.88 CNR1 (0.42) CNR1MAPTKMT2ALMNATP53

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 1651/4885MAPT 4743/4885CNR2 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.