SCHEMBL5092183

SCHEMBL5092183

CC(C)(C)OC(=O)N1CCC(O)(c2ccc3c4c(cccc24)CC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AVPR1A P37288 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL5093543 0.81 ALDH1A1 (0.45) KDM4EPOLBMAPK1ALDH1A1HPGD
SCHEMBL429502 0.77 POLB (0.47) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL6594649 0.77 DTYMK (0.43) KDM1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL2080003 0.77 PDK2 (0.47) KDM1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL21064298 0.76 OPRD1 (0.47) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL14143335 0.76 CHRM2 (0.42) KDM1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL14143343 0.76 JAK1 (0.44) KDM1AALOX15TSHRATMGPR119
SCHEMBL24838586 0.75 CYP11B2 (0.53) KDM1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL3249913 0.75 OPRD1 (0.49) KDM1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL3766313 0.75 GPR119 (0.48) ALOX15TSHRATMGPR119PDK2

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
US-7335660-B2 Isochroman compounds for treatment of CNS disorders ELI LILLY AND COMPANY (US) 2008-02-26 US disclosed
EP-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP disclosed
US-20050014750-A1 Isochroman compounds for treatment of cns disorders ELI LILLY AND COMPANY 2005-01-20 US disclosed
EP-1458703-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2004-09-22 EP disclosed
WO-2003053948-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2003-07-03 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-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 KDM1A 865/4885ESR2 2941/4885KDM4E 883/4885

“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.