SCHEMBL23745582

SCHEMBL23745582

N[C@H]1CC[C@H](NC(=O)CC(c2cccc(Cl)c2)c2cn(CC3CCCCC3)c3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.42
EPHX2 P34913 1/20 0.39
CNR2 P34972 2/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
CCR1 P32246 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
USP2 O75604 1/20 0.38
IDO1 P14902 2/20 0.37
POLB P06746 1/20 0.37

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 SCHEMBL23722125 0.99 CNR1 (0.41) CNR1EPHX2CNR2KMT2ALMNA
SCHEMBL23745429 0.94 CNR1 (0.43) CNR1CNR2KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL23722168 0.93 CNR1 (0.42) CNR1CNR2KMT2ALMNAMAPT
SCHEMBL23745798 0.92 CNR1 (0.47) CNR1CNR2KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL23721975 0.91 CNR1 (0.46) CNR1CNR2KMT2ALMNAMAPT
SCHEMBL23745532 0.90 CNR1 (0.42) CNR1KMT2ALMNAMAPTALDH1A1
SCHEMBL23745627 0.90 CNR1 (0.42) CNR1CNR2KMT2ALMNAMAPT
SCHEMBL23745577 0.90 CNR1 (0.42) CNR1KMT2ALMNAMAPTALDH1A1
SCHEMBL23745575 0.90 CNR1 (0.42) CNR1KMT2ALMNAMAPTALDH1A1
SCHEMBL23721885 0.90 CNR1 (0.42) CNR1KMT2ALMNAMAPTALDH1A1

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 1651/4885EPHX2 627/4885CNR2 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.