SCHEMBL381599

SCHEMBL381599

CC(C)Oc1ccc(-c2cc(Cl)c(CC3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
FPR2 P25090 1/20 0.41
MMP13 P45452 7/20 0.40
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
GPR119 Q8TDV5 5/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
MMP7 P09237 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP2 P08253 2/20 0.39

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
SCHEMBL381598 1.00 TP53 (0.43) TP53FPR2MMP13HTTNPC1
SCHEMBL380783 0.90 TP53 (0.53) TP53FPR2MMP13PTPN2PTPN1
SCHEMBL13031201 0.90 TP53 (0.53) TP53FPR2MMP13PTPN2PTPN1
SCHEMBL381028 0.90 TP53 (0.46) TP53FPR2MMP13PTPN2PTPN1
SCHEMBL381029 0.90 TP53 (0.46) TP53FPR2MMP13PTPN2PTPN1
SCHEMBL380636 0.88 GPR119 (0.51) TP53FPR2HTTPTPN2PTPN1
SCHEMBL380635 0.88 GPR119 (0.51) TP53FPR2HTTPTPN2PTPN1
SCHEMBL381060 0.88 TP53 (0.44) TP53FPR2PTPN2PTPN1PTPN6
SCHEMBL381061 0.88 TP53 (0.44) TP53FPR2PTPN2PTPN1PTPN6
SCHEMBL13031220 0.88 HTR2A (0.35)

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-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP disclosed
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 TP53 4717/4885FPR2 3330/4885MMP13 811/4885

“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.