SCHEMBL3563830

SCHEMBL3563830

O=C1[C@H](Cc2c(Cl)cc(-c3ccc(OC(F)(F)F)cc3)cc2Cl)CCN1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
P2RY14 Q15391 1/20 0.36
HTR2C P28335 3/20 0.36
HSD11B1 P28845 1/20 0.35
PLAT P00750 2/20 0.35
GRM2 Q14416 1/20 0.35
EPHX1 P07099 1/20 0.35
OPRM1 P35372 2/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
ROCK2 O75116 1/20 0.34
HTR2A P28223 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
LIPE Q05469 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL3563833 1.00 AKR1C2 (0.38) AKR1C2AKR1C1P2RY14HTR2CHSD11B1
Trifluoroacetic Acid SCHEMBL381863 0.95 AKR1C2 (0.41) AKR1C2AKR1C1P2RY14HTR2CHSD11B1
SCHEMBL3564422 0.88 HTR2A (0.43) HTR2CHSD11B1PLATROCK2HTR2A
SCHEMBL3564428 0.88 HTR2A (0.43) HTR2CHSD11B1PLATROCK2HTR2A
SCHEMBL474642 0.87 AKR1C2 (0.38) AKR1C2AKR1C1HSD11B1GRM2OPRM1
SCHEMBL474851 0.87 AKR1C2 (0.38) AKR1C2AKR1C1HSD11B1GRM2OPRM1
SCHEMBL13031267 0.86 TP53 (0.46) HTR2CHSD11B1PLATROCK2HTR2A
Trifluoroacetic Acid SCHEMBL381532 0.85 PRCP (0.38) HTR2CHSD11B1ROCK2HTR2ACHRM2
SCHEMBL380636 0.84 GPR119 (0.51) AKR1C2AKR1C1LIPE
SCHEMBL380635 0.84 GPR119 (0.51) AKR1C2AKR1C1LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 AKR1C2 93/4885AKR1C1 71/4885P2RY14 3160/4885

“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.