SCHEMBL2210049

SCHEMBL2210049

COc1cc(Cl)c(CC2CCN(C3CCC(=O)C(=CN(C)C)C3)C2=O)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
CCR6 P51684 1/20 0.32
METAP1 P53582 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HSD11B1 P28845 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL2210048 1.00 HSP90AA1 (0.32) HSP90AA1CCR6METAP1HTR2AHTR2C
SCHEMBL12432112 0.91 OPRM1 (0.36) HSP90AA1CCR6METAP1HTR2AHSD11B1
SCHEMBL12432108 0.81 HSD11B1 (0.33) HSD11B1
SCHEMBL12432106 0.81 P2RX7 (0.36) KMT2A
SCHEMBL474782 0.81 HSD11B1 (0.39) HTR2AHTR2CHTR2BHSD11B1FFAR4
SCHEMBL14386160 0.80 OPRM1 (0.35) HSP90AA1CCR6METAP1HTR2AHSD11B1
SCHEMBL12432116 0.80 P2RX7 (0.33) METAP1HSD11B1KDM4EKMT2A
SCHEMBL12432125 0.79 OPRM1 (0.33) HSD11B1OPRM1OPRD1OPRK1
SCHEMBL13675619 0.79 HSD11B1 (0.36) HSP90AA1CCR6HTR2AHTR2CHTR2B
SCHEMBL12432115 0.79 PYCR1 (0.32) HSD11B1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029579-B1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2014-12-31 EP disclosed
US-7981918-B2 Cyclohexylpyrazole-lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-30 US disclosed
EP-2029579-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007124254-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO 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-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 HSP90AA1 788/4885CCR6 3351/4885METAP1 1340/4885

“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.