Sugi Predict

Sugi Predict / Compounds / SCHEMBL4251027

SCHEMBL4251027

SCHEMBL4251027

CCC1(CC)CCC(c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.46
▸ TP53 P04637 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TERT O14746 1/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRM2 P08172 1/20 0.41

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
SCHEMBL4258536 0.88 GPR119 (0.49) GPR119TP53THRBCKS1BSKP1
SCHEMBL4253371 0.85 BACE1 (0.45) GPR119CKS1BSKP1SKP2MAPT
SCHEMBL27671027 0.85 HTR1A (0.42) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14064668 0.85 ALDH1A1 (0.47) GPR119TP53SMN1; SMN2MAPTMEN1
SCHEMBL4851108 0.84 GPR119 (0.52) GPR119TP53THRBCKS1BSKP1
SCHEMBL4855770 0.82 KMT2A (0.48) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4853943 0.82 MAPT (0.44) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14064718 0.81 GPR119 (0.47) GPR119SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4848366 0.81 GPR119 (0.43) GPR119TP53SMN1; SMN2MAPTMEN1
SCHEMBL4857745 0.80 AKR1C3 (0.56) KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 — — EP disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 — — EP disclosed
CN-102040552-A 1, 2-di (cyclic group) substituted benzene derivative EISAI R&D MAN CO LTD 2011-05-04 — — CN 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
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 — — US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 — — US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 — — US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 — — US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 — — US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 — — US disclosed
CN-101175723-A 1, 2-di (cyclic group) substituted benzene derivative EISAI R&D MAN CO LTD (JP) 2008-05-07 — — CN 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 — — US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 — — US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 — — US 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
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 — — EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 — — 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 (5 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 GPR119 666/4885TP53 703/4885THRB 1406/4885
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 GPR119 323/4885TP53 1878/4885THRB 2744/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 GPR119 988/4885TP53 701/4885THRB 1542/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 GPR119 281/4885TP53 2191/4885THRB 2765/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 GPR119 638/4885TP53 2335/4885THRB 2945/4885

“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.