SCHEMBL23745552

SCHEMBL23745552

Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCC(F)(F)CC3)c3ccc(Br)cc23)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL1B P01584 5/20 0.39
P2RX7 Q99572 5/20 0.39
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ICMT O60725 1/20 0.36
IDO1 P14902 1/20 0.35
EPHX2 P34913 1/20 0.35
KRAS P01116 9/20 0.35
GRIN2B Q13224 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL23745856 0.91 IL1B (0.42) IL1BP2RX7CNR1CNR2ICMT
SCHEMBL23745455 0.91 IDO1 (0.40) CNR1CNR2ICMTIDO1EPHX2
Hydrochloric Acid SCHEMBL23722056 0.91 IDO1 (0.40) CNR1CNR2ICMTIDO1EPHX2
SCHEMBL23745585 0.90 CNR2 (0.46) CNR1CNR2ICMTIDO1EPHX2
Hydrochloric Acid SCHEMBL23721976 0.89 CNR2 (0.45) CNR1CNR2ICMTIDO1EPHX2
SCHEMBL23745893 0.86 IDO1 (0.45) CNR1CNR2ICMTIDO1EPHX2
SCHEMBL23722118 0.84 IDO1 (0.42) CNR1CNR2ICMTIDO1EPHX2
SCHEMBL23745572 0.84 ICMT (0.41) CNR1ICMTCYP3A4HPGDCYP2C19
SCHEMBL23745464 0.84 CNR1 (0.41) CNR1CNR2ICMTCYP3A4HPGD
Hydrochloric Acid SCHEMBL23721918 0.83 ICMT (0.41) CNR1ICMTCYP3A4HPGDCYP2C19

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 IL1B 239/4885P2RX7 1454/4885CNR1 1651/4885

“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.