SCHEMBL4257010

SCHEMBL4257010

COC(=O)c1ccc(N2CCN(CC3CC3)CC2)c(C2CC(C)(C)CC(C)(C)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 2/20 0.37
TP53 P04637 1/20 0.37

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
Hydrochloric Acid SCHEMBL4257008 0.99 OPRD1 (0.43) OPRD1ALDH1A1MAPTNPC1KDM4E
SCHEMBL13806201 0.87 HRH2 (0.40) MAPTHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL4253177 0.87 MAPT (0.41) ALDH1A1MAPTNPC1KDM4EHPGD
Hydrochloric Acid SCHEMBL4253181 0.87 HRH2 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL4407021 0.86 MAPT (0.40) ALDH1A1MAPTNPC1KDM4EHPGD
SCHEMBL4249870 0.85 HTR4 (0.41) ALDH1A1MAPTNPC1KDM4EHPGD
Hydrochloric Acid SCHEMBL4249866 0.84 HTR4 (0.41) ALDH1A1MAPTNPC1KDM4EHPGD
SCHEMBL4256021 0.82 NPC1 (0.44) OPRD1ALDH1A1MAPTNPC1KDM4E
SCHEMBL6022516 0.82 OPRM1 (0.41) OPRD1DRD2KDM2B
Hydrochloric Acid SCHEMBL4852612 0.81 OPRM1 (0.40) OPRD1DRD2KDM2B

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 OPRD1 612/4885ALDH1A1 305/4885MAPT 4564/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 OPRD1 525/4885ALDH1A1 309/4885MAPT 4459/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 OPRD1 961/4885ALDH1A1 617/4885MAPT 2706/4885

“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.