SCHEMBL2990601

SCHEMBL2990601

C[C@H]1CC2(CC[C@H]1OCc1ccccc1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
DPP4 P27487 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL2990605 1.00 CYP2C19 (0.43) CYP2C19CYP2C9OPRM1OPRL1CTSV
SCHEMBL720768 0.77 OPRM1 (0.56) CYP2C19CYP2C9OPRM1OPRL1CTSV
SCHEMBL24898577 0.74 PSEN1 (0.45) CYP2C19OPRM1OPRL1CTSVCTSL
SCHEMBL31251578 0.74 PSEN1 (0.45) CYP2C19OPRM1OPRL1CTSVCTSL
SCHEMBL2989153 0.73 CPB1 (0.48) CYP2C19CYP2C9CTSLCTSBCTSS
SCHEMBL2989148 0.73 CPB1 (0.48) CYP2C19CYP2C9CTSLCTSBCTSS
SCHEMBL2989149 0.73 CPB1 (0.48) CYP2C19CYP2C9CTSLCTSBCTSS
SCHEMBL13823477 0.73 CPB1 (0.48) CYP2C19CYP2C9CTSLCTSBCTSS
SCHEMBL2989156 0.73 CPB1 (0.48) CYP2C19CYP2C9CTSLCTSBCTSS
SCHEMBL16985344 0.73 CTSL (0.45) CYP2C19CYP2C9OPRM1OPRL1CTSV

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 CYP2C19 91/4885CYP2C9 200/4885OPRM1 514/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 CYP2C19 163/4885CYP2C9 339/4885OPRM1 950/4885

“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.