SCHEMBL26567589

SCHEMBL26567589

Cc1ccc2sc(C3CC4(CC(NC(=O)c5ccnc(C)c5)C4)C3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.38
▸ LMNA P02545 5/20 0.38
▸ UBE2M P61081 3/20 0.38
▸ DCUN1D1 Q96GG9 3/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ HPGDS O60760 3/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ ROCK2 O75116 4/20 0.36
▸ WDR5 P61964 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RORC P51449 1/20 0.34

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
SCHEMBL26185569 0.91 NPC1 (0.41) CHRM4HPGDSCHRNA7ROCK2WDR5
SCHEMBL29700445 0.91 NPC1 (0.41) CHRM4HPGDSCHRNA7ROCK2WDR5
SCHEMBL26567893 0.90 KCNK3 (0.40) CHRM4LMNAUBE2MDCUN1D1DYRK1A
SCHEMBL26567620 0.89 ROCK2 (0.39) CHRM4LMNAUBE2MDCUN1D1DYRK1A
SCHEMBL26567915 0.89 CSNK1E (0.39) CHRM4LMNAUBE2MDCUN1D1DYRK1A
SCHEMBL26567577 0.88 KCNH2 (0.38) CHRM4LMNAUBE2MDCUN1D1HPGDS
SCHEMBL26567583 0.88 ROCK2 (0.40) CHRM4LMNAUBE2MDCUN1D1DYRK1A
SCHEMBL26567941 0.87 PROKR1 (0.42) CHRM4LMNAUBE2MDCUN1D1DYRK1A
SCHEMBL26567926 0.87 PROKR1 (0.42) CHRM4LMNAUBE2MDCUN1D1DYRK1A
SCHEMBL26567607 0.87 CHRM4 (0.34) CHRM4LMNAUBE2MDCUN1D1DYRK1A

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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 — — 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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 CHRM4 4362/4885LMNA 1803/4885UBE2M 3500/4885

“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.

Send feedback