SCHEMBL24462271

SCHEMBL24462271

CC(C)(C)OC(=O)NC12CC(c3nnc(-c4ccc(Cl)cc4)o3)(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 4/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDK2 Q15119 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SMPD1 P17405 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL20722141 0.86 ATF4 (0.46) ATF4KCNH2
SCHEMBL23358982 0.81 ATF4 (0.36) ATF4KCNH2PDK2
SCHEMBL30873658 0.81 ATF4 (0.36) ATF4KCNH2PDK2
SCHEMBL25385774 0.81 NPC1 (0.37) ALDH1A1RAB9ASMN1; SMN2SMPD1PSMB8
SCHEMBL30336592 0.80 ATF4 (0.48) ATF4KCNH2ALDH1A1SMN1; SMN2PKM
SCHEMBL24462363 0.79 TSHR (0.42) RAB9ASMN1; SMN2
SCHEMBL29525089 0.78 DRD2 (0.47) ATF4ALDH1A1
SCHEMBL29801660 0.77 PSEN1 (0.39) ATF4KCNH2PDK2PSEN1PSEN2
SCHEMBL24462411 0.77 TRPA1 (0.39) ATF4KCNH2RAB9AKDM4E
SCHEMBL29408894 0.76 POLB (0.41) ALDH1A1RAB9ASMN1; SMN2PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 — — EP disclosed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 — — US disclosed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 — — US disclosed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 — — US disclosed
WO-2022106375-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 — — WO disclosed
WO-2022106375-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 — — WO 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-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP1B1, CYP7A1 ATF4 3509/4885KCNH2 3008/4885PDK2 1313/4885

“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.

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