SCHEMBL7996670

SCHEMBL7996670

CC1c2cccc(N)c2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 4/20 0.43
NR1H2 P55055 3/20 0.40
HDAC1 Q13547 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GHSR Q92847 1/20 0.36
KDM1A O60341 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
DRD1 P21728 1/20 0.36
NR1I2 O75469 1/20 0.36
MAP4K4 O95819 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL30682966 0.86 UCHL1 (0.43) UCHL1NR1H2DDB1CRBN
SCHEMBL24495434 0.86 UCHL1 (0.43) UCHL1NR1H2DDB1CRBN
SCHEMBL29608082 0.85 UCHL1 (0.55) UCHL1NR1H2DDB1CRBNGPR119
SCHEMBL29607370 0.85 UCHL1 (0.55) UCHL1NR1H2DDB1CRBNGPR119
SCHEMBL17681742 0.85 UCHL1 (0.55) UCHL1NR1H2DDB1CRBNGPR119
SCHEMBL17681690 0.85 UCHL1 (0.55) UCHL1NR1H2DDB1CRBNGPR119
SCHEMBL17681740 0.85 UCHL1 (0.55) UCHL1NR1H2DDB1CRBNGPR119
SCHEMBL29607737 0.85 UCHL1 (0.55) UCHL1NR1H2DDB1CRBNGPR119
SCHEMBL30557078 0.84 DRD1 (0.43) UCHL1NR1H2DDB1CRBNGHSR
SCHEMBL33532209 0.84 UCHL1 (0.42) UCHL1NR1H2DDB1CRBNGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001278-B Tetrahydroisoquinoline derivatives UCB生物制药私人有限公司 2020-11-24 CN disclosed
EP-3204359-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-01 EP disclosed
EP-3204359-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-01 EP disclosed
US-10105359-B2 Tetrahydroisoquinoline derivatives UCB BIOPHARMA SPRL (BE) 2018-10-23 US disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 US disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 US disclosed
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US disclosed
EP-0971897-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-01-19 EP disclosed
WO-1998041507-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-09-24 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 (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-20170304292-A1 Tetrahydroisoquinoline Derivatives OPRD1, ADRA1D, GPR52 UCHL1 4153/4885NR1H2 96/4885HDAC1 1485/4885
US-10105359-B2 Tetrahydroisoquinoline derivatives OPRD1, ADRA1D, GPR52 UCHL1 4153/4885NR1H2 96/4885HDAC1 1485/4885

“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.