SCHEMBL3452940

SCHEMBL3452940

O=C1C(Cc2c(Cl)cc(-c3ccc4sccc4c3)cc2Cl)CCN1[C@@H]1CCc2[nH]cnc2C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.32
KCNH2 Q12809 3/20 0.32
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
DYRK1A Q13627 1/20 0.30
CA12 O43570 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL3452942 1.00 CHRNA7 (0.32) CHRNA7KCNH2BRD4CREBBPDYRK1A
SCHEMBL3452938 1.00 CHRNA7 (0.32) CHRNA7KCNH2BRD4CREBBPDYRK1A
SCHEMBL3453353 0.86 ATR (0.33) CHRNA7KCNH2
SCHEMBL3453349 0.86 ATR (0.33) CHRNA7KCNH2
SCHEMBL3453351 0.86 ATR (0.33) CHRNA7KCNH2
SCHEMBL3452841 0.85 ROCK2 (0.34)
SCHEMBL3453865 0.85 ADRA1A (0.32)
SCHEMBL3453125 0.84 DYRK1A (0.34) CHRNA7KCNH2DYRK1ACA12
SCHEMBL3453539 0.84 HSD11B1 (0.38)
SCHEMBL3453348 0.83 CTSS (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP claimed
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US claimed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US claimed
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP 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-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 CHRNA7 3650/4885KCNH2 4258/4885BRD4 1867/4885

“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.