SCHEMBL13290604

SCHEMBL13290604

CCN1CCC(OC)(OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL16306651 0.78 KDM4E (0.34) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL8915768 0.76 S1PR1 (0.47)
SCHEMBL1710042 0.74 KDM4E (0.37) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL5553407 0.73 MAOB (0.38) MMP1MMP9MMP13
SCHEMBL21776122 0.73 MMP1 (0.32) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL24316197 0.73 OPRM1 (0.32) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL23559996 0.73 TSHR (0.48) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL25069170 0.72 OPRM1 (0.31) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL6923193 0.70 TSHR (0.47) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL6922492 0.70 GAA (0.38) KDM4EGAAOPRM1OPRD1OPRK1

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 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 (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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 KDM4E 488/4885GAA 4783/4885OPRM1 301/4885

“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.