SCHEMBL23745856

SCHEMBL23745856

Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCC(F)(F)CC3)c3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.42
P2RX7 Q99572 8/20 0.42
HTR4 Q13639 3/20 0.36
ICMT O60725 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HTT P42858 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL23745572 0.93 ICMT (0.41) HTR4ICMTCYP3A4HPGDCYP2C19
Hydrochloric Acid SCHEMBL23721918 0.92 ICMT (0.41) HTR4ICMTCYP3A4HPGDCYP2C19
SCHEMBL23745461 0.91 CNR1 (0.41) HTR4ICMTCYP3A4HPGDCYP2C19
SCHEMBL23745552 0.91 IL1B (0.39) IL1BP2RX7ICMTCYP3A4HPGD
Hydrochloric Acid SCHEMBL23722020 0.91 CNR1 (0.40) HTR4ICMTCYP3A4HPGDCYP2C19
SCHEMBL23745802 0.91 CNR1 (0.42) ICMTCYP3A4HPGDCYP2C19RAB9A
Hydrochloric Acid SCHEMBL23722145 0.90 CNR1 (0.41) ICMTCYP3A4HPGDCYP2C19RAB9A
SCHEMBL23745762 0.89 CNR1 (0.43) HTR4ICMTCNR1CNR2
Hydrochloric Acid SCHEMBL23721959 0.89 CNR1 (0.42) HTR4ICMTCNR1CNR2
SCHEMBL23745840 0.88 ICMT (0.39) HTR4ICMTCYP3A4HPGDCYP2C19

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 1454/4885HTR4 4759/4885

“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.