Sugi Predict

Sugi Predict / Compounds / SCHEMBL346787

SCHEMBL346787

SCHEMBL346787

CC(C)N1CCC(C)(C(=O)Nc2cccc(-c3ccc4c(c3)CCC(C(=O)NO)C4)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 1/20 0.40
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53BP1 Q12888 1/20 0.35
▸ FAAH O00519 4/20 0.35
▸ OGG1 O15527 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ ALPL P05186 2/20 0.34
▸ ALPI P09923 2/20 0.34
▸ ALPG P10696 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ CDC25A P30304 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
SCHEMBL460073 0.87 HDAC1 (0.41) GRIA2MCHR1DGAT1FAAHGHSR
SCHEMBL346726 0.86 GSK3B (0.41) FAAH
SCHEMBL346770 0.86 NPC1 (0.38) OPRM1OPRD1OPRK1GHSR
SCHEMBL434259 0.85 F10 (0.39) GRIA2MCHR1DGAT1TP53BP1FAAH
SCHEMBL10197813 0.84 DRD2 (0.39) GRIA2OPRM1OPRD1OPRK1MCHR1
SCHEMBL438630 0.80 GRIA2 (0.53) GRIA2DGAT1FAAHOGG1GHSR
SCHEMBL436430 0.79 GHSR (0.42) OPRM1OPRD1OPRK1MCHR1DGAT1
SCHEMBL354799 0.77 NPC1 (0.38) KMT2A
SCHEMBL345400 0.77 GSK3B (0.43) FAAHABL1
SCHEMBL434456 0.77 BRAF (0.46) FAAH

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 6 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
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
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 GRIA2 237/4885OPRM1 3662/4885OPRD1 1658/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GRIA2 674/4885OPRM1 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.