SCHEMBL1104451

SCHEMBL1104451

CC(C)(C)C(=O)N1CCC(C(C)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC9A1 P19634 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDK2 Q15119 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CXCR3 P49682 1/20 0.36
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL12386289 0.88 CYP3A4 (0.42) CYP3A4KCNH2CYP2D6HRH3CYP2C9
SCHEMBL12776577 0.83 KCNH2 (0.53) CYP3A4KCNH2CYP2D6HRH3CYP2C9
SCHEMBL18701745 0.83 PDK2 (0.40) CYP3A4KCNH2CYP2C9SLC9A1CYP2C19
SCHEMBL18701703 0.83 PDK2 (0.40) CYP3A4KCNH2CYP2D6HRH3CYP2C9
SCHEMBL18702021 0.82 CYP3A4 (0.39) CYP3A4KCNH2CYP2C9SLC9A1CYP2C19
SCHEMBL26261897 0.82 CYP2D6 (0.40) CYP3A4KCNH2CYP2D6HRH3PDK2
SCHEMBL26783941 0.82 EPHX2 (0.49) KCNH2CYP2D6HRH3MEN1KMT2A
SCHEMBL20469332 0.81 DPP4 (0.40) CYP3A4KCNH2CYP2C9SLC9A1CYP2C19
SCHEMBL18701882 0.81 SPR (0.43) CYP3A4KCNH2CYP2D6HRH3CYP2C9
SCHEMBL2706719 0.80 CYP2D6 (0.39) KCNH2CYP2D6HRH3PDK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
US-8153807-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
US-7994176-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
US-7968585-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-06-28 US disclosed
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BUSH JULIE KAY 2009-04-30 US disclosed
US-20090099182-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-16 US disclosed
US-20090099180-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-16 US disclosed
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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 (6 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP CYP3A4 677/4885KCNH2 1838/4885CYP2D6 1675/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CYP3A4 4382/4885KCNH2 4716/4885CYP2D6 4510/4885
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 CYP3A4 311/4885KCNH2 3645/4885CYP2D6 299/4885
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 CYP3A4 332/4885KCNH2 3502/4885CYP2D6 666/4885
US-20090099180-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP3A4 255/4885KCNH2 3665/4885CYP2D6 282/4885
US-20090099182-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP3A4 249/4885KCNH2 3725/4885CYP2D6 290/4885

“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.