SCHEMBL4253213

SCHEMBL4253213

COCCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CC(C)(C)CC(C)(C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.47
GPR119 Q8TDV5 10/20 0.41
EPHX2 P34913 6/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 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
SCHEMBL4251452 0.93 RET (0.47) RETGPR119EPHX2LMNAMAPT
SCHEMBL13816772 0.84 DDB1 (0.42) RETGPR119LMNAMAPTSMN1; SMN2
SCHEMBL4250231 0.82 ESR2 (0.44) GPR119LMNAMAPTSMN1; SMN2MAP4K4
SCHEMBL4854049 0.82 GPR119 (0.46) GPR119LMNAMAPTSMN1; SMN2MAP4K4
SCHEMBL4253695 0.81 BACE1 (0.47) RETLMNAMAPTMAP4K4
SCHEMBL4255027 0.81 MAPT (0.40) GPR119EPHX2LMNAMAPTSMN1; SMN2
SCHEMBL4253853 0.81 ALDH1A1 (0.47) GPR119EPHX2LMNAMAPTSMN1; SMN2
SCHEMBL4253786 0.80 CHRNB2 (0.43) RET
SCHEMBL4251480 0.80 ESRRB (0.39) RETGPR119LMNAMAPTMAP4K4
SCHEMBL22638139 0.80 FFAR4 (0.48) RETGPR119LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 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 (3 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 RET 1757/4885GPR119 666/4885EPHX2 1333/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 RET 1882/4885GPR119 988/4885EPHX2 1458/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 RET 2375/4885GPR119 638/4885EPHX2 1005/4885

“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.