SCHEMBL613729

SCHEMBL613729

OC1(C2CCCCC2)CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6132321 0.98 KMT2A (0.34) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL1119828 0.89 OPRM1 (0.31) OPRM1OPRK1OPRL1
SCHEMBL31550466 0.82 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL18566703 0.82 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL7572979 0.74 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL3711846 0.74 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL29889248 0.74 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL5081429 0.74 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL3708728 0.74 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL4964887 0.74 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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
EP-2403857-B1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-12-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 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 (1 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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK OPRM1 4806/4885OPRD1 4770/4885OPRK1 4328/4885

“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.