SCHEMBL2990939

SCHEMBL2990939

C[C@H]1CC2(CC[C@H]1N1CCCC1=O)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRD1 P41143 2/20 0.33
TSHR P16473 1/20 0.31
CHRM1 P11229 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
SCHEMBL2990941 1.00 ALDH1A1 (0.33) ALDH1A1CYP2C19KMT2AOPRD1TSHR
SCHEMBL2990945 1.00 ALDH1A1 (0.33) ALDH1A1CYP2C19KMT2AOPRD1TSHR
SCHEMBL2990940 1.00 ALDH1A1 (0.33) ALDH1A1CYP2C19KMT2AOPRD1TSHR
SCHEMBL12173229 0.80 ALDH1A1 (0.36) ALDH1A1CYP2C19KMT2AOPRD1TSHR
SCHEMBL13607462 0.80 ALDH1A1 (0.36) ALDH1A1CYP2C19KMT2AOPRD1TSHR
SCHEMBL474942 0.76 CYP2C19 (0.46) ALDH1A1CYP2C19KMT2ATSHR
SCHEMBL2996422 0.73 BRD4 (0.40) ALDH1A1CHRM1
SCHEMBL2989133 0.73 BRD4 (0.40) ALDH1A1CHRM1
SCHEMBL2996425 0.73 BRD4 (0.40) ALDH1A1CHRM1
SCHEMBL2989139 0.73 BRD4 (0.40) ALDH1A1CHRM1

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 ALDH1A1 108/4885CYP2C19 91/4885KMT2A 2240/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 118/4885CYP2C19 163/4885KMT2A 2654/4885

“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.