SCHEMBL17681850

SCHEMBL17681850

CC(C)(C)OC(=O)Cc1c(Cl)cc(C#N)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
ABCB1 P08183 2/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
GPR35 Q9HC97 2/20 0.36
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
AR P10275 1/20 0.34
MAPK1 P28482 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
NR3C2 P08235 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL16109970 0.81 PDK1 (0.42) ALDH1A1ABCB1PDK1PDK2PDK3
SCHEMBL17681851 0.80 MTNR1A (0.43) GPR35MTNR1AMTNR1BMAPK1MEN1
SCHEMBL19507328 0.79 ALDH1A1 (0.37) ALDH1A1GLAABCB1GPR35MTNR1A
SCHEMBL17681853 0.75 AKR1B1 (0.52) ALDH1A1GPR35MRGPRX4
SCHEMBL22014712 0.74 ALDH1A1 (0.34) ALDH1A1GLAABCB1GPR35MTNR1A
SCHEMBL25941174 0.74 MTNR1A (0.42) ALDH1A1GLAABCB1MTNR1AMTNR1B
SCHEMBL12302606 0.72 ACACB (0.44) ALDH1A1GLAMTNR1AMTNR1BMRGPRX4
SCHEMBL11295278 0.72 KDM4E (0.39) ALDH1A1GLAABCB1GPR35MRGPRX4
SCHEMBL12129767 0.72 HSD11B1 (0.42) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL16109388 0.72 ERCC1 (0.46) GLAABCB1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204359-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-01 EP disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 US disclosed
WO-2016055479-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 WO 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-20170304292-A1 Tetrahydroisoquinoline Derivatives OPRD1, ADRA1D, GPR52 ALDH1A1 950/4885GLA 4706/4885ABCB1 711/4885

“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.