SCHEMBL2208435

SCHEMBL2208435

O=C1C(Cc2c(Cl)cc(-c3ccc(F)cc3)cc2Cl)CCN1[C@@H]1CCc2cn[nH]c2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.38
F2 P00734 2/20 0.34
F10 P00742 1/20 0.34
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 0.34
NAMPT P43490 2/20 0.34
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
HSD11B1 P28845 1/20 0.31
DRD2 P14416 1/20 0.31
GRIN2B Q13224 1/20 0.31
MCHR1 Q99705 2/20 0.30
KCNH2 Q12809 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
SCHEMBL2208439 1.00 ROCK2 (0.38) ROCK2F2F10PSEN1PSEN2
SCHEMBL2208431 1.00 ROCK2 (0.38) ROCK2F2F10PSEN1PSEN2
SCHEMBL16333521 0.93 F2 (0.38) ROCK2F2F10PSEN1PSEN2
SCHEMBL2205480 0.86 HSD11B1 (0.31) F2F10HTR2AHSD11B1DRD2
SCHEMBL2205483 0.86 HSD11B1 (0.31) F2F10HTR2AHSD11B1DRD2
SCHEMBL2205486 0.86 HSD11B1 (0.31) F2F10HTR2AHSD11B1DRD2
SCHEMBL13109206 0.85 ROCK2 (0.36) ROCK2NAMPTHTR2AHTR2CHSD11B1
SCHEMBL3452841 0.82 ROCK2 (0.34) ROCK2NAMPTHTR2AHTR2CHSD11B1
SCHEMBL2208070 0.82 ROCK2 (0.38) ROCK2F2F10PSEN1PSEN2
SCHEMBL2210618 0.82 ROCK2 (0.38) ROCK2F2F10PSEN1PSEN2

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 ROCK2 3184/4885F2 2408/4885F10 4224/4885

“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.