SCHEMBL23717045

SCHEMBL23717045

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)C2CC2)cc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
CFTR P13569 3/20 0.31
DRD2 P14416 3/20 0.31
DRD3 P35462 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HCRTR1 O43613 1/20 0.31
DYRK1A Q13627 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
P2RX7 Q99572 1/20 0.30
GABRA5 P31644 1/20 0.30
HPGDS O60760 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL23717502 0.93 AR (0.35) POLB
SCHEMBL24363729 0.92 POLB (0.38) POLBHTR2CHTR2AHTR2BMEN1
SCHEMBL23683778 0.91 POLB (0.38) POLBHTR2CHTR2AHTR2BMEN1
SCHEMBL23685145 0.90 CFTR (0.32) POLBKMT2ACFTRGABRA5
SCHEMBL23717324 0.88 CFTR (0.31) CFTRGABRA5
SCHEMBL24345713 0.88 CFTR (0.31) HPGDCFTRALDH1A1GABRA5
SCHEMBL23717101 0.86 CFTR (0.34) HTR2ACFTRDRD4
SCHEMBL23683773 0.85 AR (0.35) POLBHTR2CHTR2BCFTR
SCHEMBL24345695 0.85 AR (0.35) POLBHTR2CHTR2B
SCHEMBL23685199 0.85 AR (0.34) P2RX7HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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 (2 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN POLB 3294/4885HTR2C 2952/4885HTR2A 3621/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN POLB 3294/4885HTR2C 2952/4885HTR2A 3621/4885

“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.