SCHEMBL436430

SCHEMBL436430

CCN1CCC(C)(C(=O)Nc2ccc(-c3ccc4c(c3)CCC(C(=O)NO)C4)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.42
DGAT1 O75907 1/20 0.41
SSTR5 P35346 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
DRD2 P14416 1/20 0.37
MCHR1 Q99705 4/20 0.37
KMT2A Q03164 1/20 0.36
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
FAAH O00519 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL10197879 0.89 GSK3B (0.41) FAAH
SCHEMBL10197813 0.88 DRD2 (0.39) GHSROPRM1OPRD1OPRK1DRD2
SCHEMBL346787 0.79 GRIA2 (0.40) GHSRDGAT1OPRM1OPRD1OPRK1
SCHEMBL345400 0.79 GSK3B (0.43) FAAH
SCHEMBL460073 0.78 HDAC1 (0.41) GHSRDGAT1MCHR1FAAH
SCHEMBL10247239 0.78 HDAC6 (0.40) SSTR5MCHR1
SCHEMBL434259 0.77 F10 (0.39) GHSRDGAT1MCHR1FAAH
SCHEMBL345716 0.76 KHK (0.40) GHSRMCHR1KMT2ANPC1RAB9A
SCHEMBL346726 0.76 GSK3B (0.41) FAAH
SCHEMBL345519 0.76 NPC1 (0.58) KMT2APTPN1PTPN2PTPN6FPR3

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-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
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 1236/4885DGAT1 4017/4885SSTR5 2145/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GHSR 2184/4885DGAT1 3888/4885SSTR5 2751/4885

“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.