SCHEMBL23745647

SCHEMBL23745647

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
MAPT P10636 4/20 0.39
CNR2 P34972 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 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 SCHEMBL23722205 0.99 CNR1 (0.41) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745563 0.95 CNR1 (0.39) CNR1MAPTCNR2RXFP1KMT2A
Hydrochloric Acid SCHEMBL23722192 0.95 CNR1 (0.39) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745557 0.94 MAPT (0.43) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745560 0.94 MAPT (0.43) CNR1MAPTCNR2RXFP1KMT2A
Hydrochloric Acid SCHEMBL23721971 0.93 MAPT (0.43) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745798 0.89 CNR1 (0.47) CNR1MAPTCNR2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL23721975 0.88 CNR1 (0.46) CNR1MAPTCNR2KMT2ASMN1; SMN2
SCHEMBL23745429 0.88 CNR1 (0.43) CNR1MAPTCNR2RXFP1KMT2A
SCHEMBL23745688 0.87 CNR1 (0.44) CNR1MAPTCNR2KMT2ASMN1; SMN2

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.