SCHEMBL2989136

SCHEMBL2989136

C[C@@H]1CCCC[C@H]1N1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
MGLL Q99685 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 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
SCHEMBL2989139 1.00 BRD4 (0.40) BRD4BRD2CHRM1CHRNB2CHRNB4
SCHEMBL2989133 1.00 BRD4 (0.40) BRD4BRD2CHRM1CHRNB2CHRNB4
SCHEMBL2996422 1.00 BRD4 (0.40) BRD4BRD2CHRM1CHRNB2CHRNB4
SCHEMBL2996425 1.00 BRD4 (0.40) BRD4BRD2CHRM1CHRNB2CHRNB4
SCHEMBL2618399 0.88 ALDH1A1 (0.38) CHRM1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5325449 0.86 CHRNB2 (0.41) BRD4BRD2CHRNB2CHRNB4CHRNA3
SCHEMBL25963689 0.80 CHRNB2 (0.42) BRD4BRD2CHRM1CHRNB2CHRNB4
SCHEMBL4056215 0.79 CA1 (0.31) CA1CA2CA4
SCHEMBL25337526 0.79 CHRNB2 (0.38) BRD4BRD2CHRM1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL25337362 0.78 CHRNB2 (0.37) BRD4BRD2CHRNB2CHRNB4CHRNA3

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
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 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 (2 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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 BRD4 3678/4885BRD2 3533/4885CHRM1 1685/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 BRD4 2919/4885BRD2 3072/4885CHRM1 2287/4885

“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.