SCHEMBL24451609

SCHEMBL24451609

COc1cccc2c1cc(C(C)C)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
CCR2 P41597 1/20 0.37
FNTA P49354 1/20 0.36
PGGT1B P53609 1/20 0.36

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
SCHEMBL27017056 0.77 GPR3 (0.39) HTR2CNQO2KDM4EKMT2AMEN1
SCHEMBL434299 0.77 CYP19A1 (0.46) HTR2CCYP19A1NQO2HTR6KDM4E
SCHEMBL19531662 0.76 KDM4E (0.39) NQO2KDM4EKMT2AALDH1A1HPGD
SCHEMBL11994201 0.75 ENPP2 (0.42) HTR2CCYP19A1NQO2KDM4EKMT2A
SCHEMBL2326863 0.74 CCR2 (0.55) KDM4EALDH1A1HPGDHSD17B10MTNR1A
SCHEMBL8015186 0.73 RHEB (0.47) HTR2CCYP19A1NQO2KDM4EKMT2A
SCHEMBL23809373 0.72 KDM4E (0.43) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL22434661 0.72 MAPT (0.40) HTR2CCYP19A1NQO2HTR6KDM4E
SCHEMBL21803739 0.72 GAA (0.45) CYP19A1NQO2HTR6KDM4EKMT2A
SCHEMBL31426151 0.72 NQO2 (0.53) CYP19A1NQO2KDM4EKMT2AMEN1

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-11352363-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20220162217-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 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-20220162217-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN HTR2C 4457/4885HDAC4 92/4885HDAC8 830/4885
US-11352363-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN HTR2C 4460/4885HDAC4 175/4885HDAC8 1168/4885

“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.