SCHEMBL2989995

SCHEMBL2989995

O=C1C(Cc2ccc(Br)cc2Cl)CCN1[C@H]1C[C@@H]2C=C[C@H]1C2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.32
HSD11B1 P28845 2/20 0.32
OPRM1 P35372 4/20 0.32
ROCK2 O75116 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2989997 1.00 P2RX7 (0.32) P2RX7HSD11B1OPRM1ROCK2ATM
SCHEMBL2990417 0.80 ROCK2 (0.35) P2RX7ROCK2
SCHEMBL2990419 0.80 ROCK2 (0.35) P2RX7ROCK2
SCHEMBL2991629 0.79 HSD11B1 (0.38) P2RX7HSD11B1OPRM1L3MBTL1
SCHEMBL2993650 0.79 HSD11B1 (0.38) P2RX7HSD11B1OPRM1L3MBTL1
SCHEMBL2991864 0.79 HSD11B1 (0.38) P2RX7HSD11B1OPRM1L3MBTL1
SCHEMBL2990822 0.78 HSD11B1 (0.54) P2RX7HSD11B1OPRM1ROCK2
SCHEMBL2999509 0.78 HSD11B1 (0.57) P2RX7HSD11B1OPRM1ROCK2
SCHEMBL2208101 0.77 HSD11B1 (0.41) P2RX7HSD11B1OPRM1ROCK2
SCHEMBL474663 0.77 HSD11B1 (0.41) P2RX7HSD11B1OPRM1ROCK2

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 P2RX7 3884/4885HSD11B1 1/4885OPRM1 514/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 P2RX7 4250/4885HSD11B1 1/4885OPRM1 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.