SCHEMBL6132692

SCHEMBL6132692

COC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
HPGD P15428 1/20 0.50
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL6374668 0.99 EPHX1 (0.49) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL3254458 0.82 EPHX1 (0.54) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL18674250 0.82 EPHX1 (0.45) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL6507267 0.81 EPHX1 (0.52) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL18674266 0.81 EPHX1 (0.44) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL1308461 0.81 EPHX1 (0.44) EPHX1HPGDUSP2SMN1; SMN2ALDH1A1
SCHEMBL23439145 0.81 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL6507349 0.81 EPHX1 (0.52) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL18674244 0.80 EPHX1 (0.43) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL4609802 0.80 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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 (2 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 EPHX1 4272/4885HPGD 3433/4885USP2 4776/4885
US-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 EPHX1 4254/4885HPGD 3020/4885USP2 4462/4885

“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.