SCHEMBL2210019

SCHEMBL2210019

O=C(c1cc(Cl)c(C[C@@H]2CCN([C@H]3CCc4n[nH]cc4C3)C2=O)c(Cl)c1)N1CCC(F)(F)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.33
LRRK2 Q5S007 1/20 0.32
ADRA1A P35348 1/20 0.30
SMYD3 Q9H7B4 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
SCHEMBL2210010 1.00 HTR1A (0.33) HTR1ALRRK2ADRA1ASMYD3
SCHEMBL12432331 0.93 PDE5A (0.33) HTR1ALRRK2SMYD3
SCHEMBL16333387 0.93 PDE5A (0.33) HTR1ALRRK2SMYD3
SCHEMBL2207931 0.89 PKM (0.36) LRRK2
SCHEMBL2207928 0.89 PKM (0.36) LRRK2
SCHEMBL2205010 0.88 SPR (0.36)
SCHEMBL2205012 0.88 SPR (0.36)
SCHEMBL2206215 0.83 HSD11B1 (0.31)
SCHEMBL2208490 0.83 HSD11B1 (0.31)
SCHEMBL2208442 0.83 HSD11B1 (0.31)

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 3 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

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 HTR1A 349/4885LRRK2 3004/4885ADRA1A 352/4885

“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.