SCHEMBL26525880

SCHEMBL26525880

CC[C@@]1(C)COc2c1cc(C(C)=O)nc2-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
CFTR P13569 2/20 0.32
MAPK14 Q16539 2/20 0.31
TSPO P30536 1/20 0.31
CSNK1D P48730 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL26526002 0.89 CHRNA1 (0.30) GRM2
SCHEMBL23195987 0.85 CFTR (0.31) CFTRNPC1RAB9ACYP2C9IDO1
SCHEMBL23905607 0.83 KDM4E (0.33) GRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23904788 0.81 DPP4 (0.32) GRM2CFTRLMNACYP2C9IDO1
SCHEMBL23905462 0.80 CFTR (0.36) GRM2CFTRCYP2C9IDO1CTSA
SCHEMBL23904802 0.80 CFTR (0.36) GRM2CFTRCYP2C9IDO1DHODH
SCHEMBL26526294 0.79 CYP2C9 (0.31) PTGS1PTGS2CYP2C9IDO1
SCHEMBL23904783 0.79 MAPT (0.34) KMT2ASMN1; SMN2ALDH1A1MAPTCFTR
SCHEMBL26526003 0.78 CYP2C9 (0.32) PTGS1PTGS2CYP2C9IDO1
SCHEMBL23905327 0.78 CFTR (0.34) KMT2ASMN1; SMN2ALDH1A1MAPTCFTR

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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 GRM2 4163/4885MEN1 1038/4885KMT2A 2570/4885

“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.