Sugi Predict

Sugi Predict / Compounds / SCHEMBL1781995

SCHEMBL1781995

SCHEMBL1781995

CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccccc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.53
▸ GPR119 Q8TDV5 6/20 0.52
▸ HPGDS O60760 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ STS P08842 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL5804341 0.88 TNK2 (0.51) USP30GPR119KDM4EMEN1KMT2A
SCHEMBL31466305 0.86 HTT (0.44) USP30GPR119KDM4EPTPN2PTPN1
SCHEMBL30701921 0.83 GPR119 (0.43) GPR119EGFRSRCPTPN2PTPN1
SCHEMBL30701909 0.83 GPR119 (0.43) GPR119EGFRSRCPTPN2PTPN1
SCHEMBL28070960 0.83 DRD2 (0.53) USP30GPR119HPGDSKDM4EPKM
SCHEMBL12231386 0.82 ACACB (0.44) KDM4EKMT2A
SCHEMBL27812250 0.82 USP30 (0.39) USP30GPR119EGFRSRCKMT2A
SCHEMBL20046185 0.82 GPR119 (0.49) GPR119KDM4EPKMPTPN2PTPN1
SCHEMBL29945868 0.82 GPR119 (0.48) GPR119KDM4EPTPN2PTPN1PTPN6
SCHEMBL15950964 0.82 GPR119 (0.50) GPR119PTPN2PTPN1PTPN6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 — — EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 — — US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 — — US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 — — US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 — — US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 — — US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 — — US disclosed
EP-2308869-A1 AZOLE COMPOUND Astellas Pharma Inc. (JP) 2011-04-13 — — EP disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 — — WO disclosed
US-20090275753-A1 ORTHO-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2009-11-05 — — US disclosed
US-20090275753-A1 ORTHO-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2009-11-05 — — US disclosed
EP-1944024-A1 O-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2008-07-16 — — EP 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 USP30 933/4885GPR119 159/4885HPGDS 1623/4885
US-20090275753-A1 ORTHO-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NFE2L2, OXSR1, AOX1 USP30 2725/4885GPR119 51/4885HPGDS 3589/4885

“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.