SCHEMBL436429

SCHEMBL436429

CC(C)N1CCC(C)(C(=O)N(C)c2ccc3c(c2)CC(C(=O)NO)CC3)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
HSD11B1 P28845 3/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ACHE P22303 2/20 0.31
HDAC4 P56524 2/20 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
SCHEMBL346770 0.82 NPC1 (0.38) GHSROPRM1OPRD1OPRK1HSD11B1
SCHEMBL15982332 0.81 OPRM1 (0.34) OPRM1OPRD1OPRK1HSD11B1MMP1
SCHEMBL10265581 0.78 OPRM1 (0.32) OPRM1OPRD1OPRK1HSD11B1MMP1
SCHEMBL435694 0.76 GHSR (0.35) GHSROPRM1OPRD1OPRK1CA1
SCHEMBL346900 0.76 GHSR (0.46) GHSRCA1CA2ACHE
SCHEMBL346787 0.73 GRIA2 (0.40) GHSROPRM1OPRD1OPRK1
SCHEMBL346726 0.71 GSK3B (0.41)
SCHEMBL436855 0.69 GHSR (0.46) GHSRCA1CA2ACHEHDAC4
SCHEMBL434456 0.69 BRAF (0.46)
SCHEMBL438223 0.69 NPC1 (0.41) GHSROPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GHSR 1236/4885OPRM1 3662/4885OPRD1 1658/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GHSR 2184/4885OPRM1 3471/4885OPRD1 1478/4885

“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.