SCHEMBL4251480

SCHEMBL4251480

COCC#Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CC(C)(C)CC(C)(C)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.39
ESRRA P11474 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
RET P07949 7/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
ADK P55263 1/20 0.35
MAP4K4 O95819 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL4250231 0.83 ESR2 (0.44) GPR119ALDH1A1LMNAMAPTSMARCA2
SCHEMBL13816772 0.82 DDB1 (0.42) GPR119RETALDH1A1LMNAMAPT
SCHEMBL4854049 0.81 GPR119 (0.46) GPR119ALDH1A1LMNAMAPTSMARCA2
SCHEMBL13806157 0.81 DRD2 (0.39) LMNABACE1
SCHEMBL4253213 0.80 RET (0.47) GPR119RETLMNAMAPTMAP4K4
SCHEMBL4253695 0.80 BACE1 (0.47) ESRRBESRRARETALDH1A1LMNA
Hydrochloric Acid SCHEMBL4253605 0.80 DRD2 (0.38) LMNABACE1
SCHEMBL13806158 0.80 HTR2A (0.36) RETBACE1
SCHEMBL4255027 0.79 MAPT (0.40) GPR119ALDH1A1LMNAMAPTSMARCA2
Hydrochloric Acid SCHEMBL4256085 0.79 HTR2A (0.35) RET

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-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 ESRRB 1710/4885ESRRA 1653/4885GPR119 666/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 ESRRB 1603/4885ESRRA 1499/4885GPR119 988/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 ESRRB 1356/4885ESRRA 1220/4885GPR119 638/4885

“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.