SCHEMBL23717022

SCHEMBL23717022

COc1cc(C(C)C)cc2ccncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
MAPT P10636 3/20 0.41
ACHE P22303 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36
CYP1A2 P05177 2/20 0.35
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL23717023 0.87 MAOA (0.44) MAOAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL29831723 0.78 MAOA (0.60) MAOAMAPTACHEALDH1A1CYP19A1
SCHEMBL12789724 0.78 MAOA (0.40) MAOAPOLBKDM4EHTTRAD52
SCHEMBL4411993 0.78 MAOA (0.60) MAOAMAPTACHEALDH1A1CYP19A1
SCHEMBL12847414 0.78 MAOA (0.40) MAOAACHEPOLBKDM4EHTT
SCHEMBL23717028 0.78 ALDH1A1 (0.48) POLBALDH1A1HDAC4HDAC8CYP2C19
SCHEMBL25105588 0.77 MAOA (0.39) MAOAMAPTACHEPOLBKDM4E
SCHEMBL11176425 0.77 MAOA (0.58) MAOAMAPTACHEPOLBALDH1A1
SCHEMBL23166970 0.77 MAOA (0.58) MAOAMAPTACHEPOLBALDH1A1
SCHEMBL23511264 0.77 MAOA (0.39) MAOAPOLBCYP19A1KDM4EHTT

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 5 patents. 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
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 US disclosed
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 (4 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 MAOA 2105/4885MAPT 4216/4885ACHE 2793/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN MAOA 2105/4885MAPT 4216/4885ACHE 2793/4885
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 MAOA 1573/4885MAPT 4608/4885ACHE 1397/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 MAOA 1573/4885MAPT 4608/4885ACHE 1397/4885

“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.