SCHEMBL20645838

SCHEMBL20645838

CCC1=NOC(C(=O)OC)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.50
▸ HTT P42858 1/20 0.47
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL20645845 0.87 MIF (0.48) MIFHTTCA1CA2NPC1
SCHEMBL12461232 0.85 CYP4F2 (0.37) MIFHTTCA1CA2HPGD
SCHEMBL8494420 0.83 F10 (0.46) MIFHTTNPC1RAB9ALMNA
SCHEMBL27526456 0.83 HTT (0.48) MIFHTTCA1CA2NPC1
SCHEMBL20640544 0.82 MIF (0.50) MIFHTTCA1CA2NPC1
SCHEMBL10757347 0.81 MIF (0.46) MIFHTT
SCHEMBL29952018 0.80 POLB (0.42) MIFHTTCA1CA2NPC1
SCHEMBL8444142 0.77 MIF (0.58) MIFHTTCYP1A2CYP2C19CYP2D6
SCHEMBL10758499 0.76 MIF (0.42) MIFHTTCYP1A2CYP2C19CYP2D6
SCHEMBL27550992 0.76 MIF (0.47) MIFHTTCA1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 — — EP disclosed
EP-3652178-B1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2024-01-24 — — EP disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 — — US disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 — — US disclosed
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-13 — — US disclosed
US-10975095-B2 — — 2021-04-13 — — US disclosed
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-04 — — US disclosed
WO-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 — — 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 (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-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885CA1 1339/4885
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885CA1 1339/4885
US-10975095-B2 — CYP1B1, UGT1A1, CYP4B1 MIF 3173/4885HTT 2124/4885CA1 3373/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885CA1 1339/4885

“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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