SCHEMBL6477827

SCHEMBL6477827

CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.56
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
SMYD3 Q9H7B4 1/20 0.48
POLB P06746 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
BLM P54132 1/20 0.43
CXCR3 P49682 1/20 0.43

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
SCHEMBL2791174 1.00 HDAC8 (0.56) HDAC8KMT2AMEN1OPRM1OPRD1
SCHEMBL6930590 1.00 HDAC8 (0.56) HDAC8KMT2AMEN1OPRM1OPRD1
SCHEMBL29364300 1.00 HDAC8 (0.56) HDAC8KMT2AMEN1OPRM1OPRD1
Hydrochloric Acid SCHEMBL9595072 0.98 HDAC8 (0.58) HDAC8KMT2AMEN1OPRM1OPRD1
Hydrochloric Acid SCHEMBL7278121 0.98 HDAC8 (0.58) HDAC8KMT2AMEN1OPRM1OPRD1
SCHEMBL30839815 0.87 KMT2A (0.52) HDAC8KMT2AMEN1OPRM1OPRD1
SCHEMBL25523118 0.86 KMT2A (0.51) HDAC8KMT2AMEN1OPRM1OPRD1
SCHEMBL8268852 0.83 KMT2A (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL20812889 0.81 HDAC8 (0.45) HDAC8KMT2AMEN1OPRM1OPRD1
SCHEMBL27470508 0.81 KMT2A (0.57) HDAC8KMT2AMEN1OPRM1OPRD1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206487-A Synthesis process of (S) -N-tert-butyl-1, 2,3, 4-tetrahydroisoquinoline-3-carboxamide 四川什邡市三高生化实业有限公司 2024-06-18 CN claimed
US-6894167-B2 Method of preparation of (s)-n-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CLARIANT LIFE SCIENCE MOLECULES (ITALIA) S.P.A. (IT) 2005-05-17 US claimed
EP-1104755-B1 Process for the preparation of (S)-N-tertbutyl-1,2,3,4- tetrahydroisoquinoline-3-carboxamide CLARIANT LSM ITALIA SPA (IT) 2004-10-06 EP claimed
US-20040034056-A1 Method of preparation of (s)-n-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide ARCHIMICA S.R.L. (IT) 2004-02-19 US claimed
EP-0902781-B1 PREPARATION OF (S)-DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID T-BUTYLAMIDE PCBU SERVICES INC (US) 2003-12-17 EP claimed
EP-1337514-A1 METHOD OF PREPARATION OF (S)-N-TERT-BUTYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE Clariant Life Science Molecules (Italia) S.p.A. (IT) 2003-08-27 EP claimed
EP-1140853-B1 CONTINUOUS PROCESS FOR THE PREPARATION OF OPTICALLY PURE DECAHYDROISOQUINOLINECARBOXAMIDE SK CORP (KR) 2003-08-06 EP claimed
US-6586597-B1 Reduction of N-tert-butyl-1,2,3,4-tetrahydro-3(S)-isoquinolinecarboxamide using hydrogenation catalyst on supports to form intermediates for antagonists of excitatory amino acid receptors or enzyme inhibitors; viral diseases SK CORPORATION (KR) 2003-07-01 US claimed
US-6433177-B1 REACTING N-CARBOXYANHYDRIDE AND BUTYLAMINE CLARIANT LSM ITALIA S.P.A. (IT) 2002-08-13 US claimed
WO-2002030905-A1 METHOD OF PREPARATION OF (S)-N-TERT-BUTYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE CLARIANT LIFE SCIENCE MOLECULES (ITALIA) S.P.A. (IT) 2002-04-18 WO claimed
US-6340760-B1 PRODUCING VIRAL DRUGS BY MULTISTAGE REACTION CLARIANT LSM ITALIA S.P.A (IT) 2002-01-22 US claimed
EP-1140853-A1 CONTINUOUS PROCESS FOR THE PREPARATION OF OPTICALLY PURE DECAHYDROISOQUINOLINECARBOXAMIDE SK Corporation (KR) 2001-10-10 EP claimed
EP-1009749-B1 PREPARATION OF (S)-N-TERT-BUTYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYAMIDE CLARIANT LSM ITALIA SPA (IT) 2001-08-08 EP claimed
EP-1104755-A1 Process for the preparation of (S)-N-tertbutyl-1,2,3,4- tetrahydroisoquinoline-3-carboxamide Clariant Life Science Molecules (Italia) S.p.a. (IT) 2001-06-06 EP claimed
WO-2000035883-A1 CONTINUOUS PROCESS FOR THE PREPARATION OF OPTICALLY PURE DECAHYDROISOQUINOLINECARBOXAMIDE SK CORPORATION (KR) 2000-06-22 WO claimed
EP-1009749-A1 PREPARATION OF (S)-N-TERT-BUTYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYAMIDE Archimica S.p.A. (IT) 2000-06-21 EP claimed
WO-2000000494-A1 PREPARATION OF (S)-N-TERT-BUTYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYAMIDE ARCHIMICA S.P.A. (IT) 2000-01-06 WO claimed
US-5587481-A Preparation of (S)-decahydroisoquinoline-3-carboxylic acid t-butylamide THE MONSANTO COMPANY (US) 1996-12-24 US claimed
JP-5213887-A None JP disclosed
EP-0533000-A1 Process for the preparation of 3-substituted 1,2,3,4-tetrahydro isoquinoline derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-03-24 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 (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-20040034056-A1 Method of preparation of (s)-n-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CPS1, QTRT1, BET1 HDAC8 2328/4885KMT2A 673/4885MEN1 955/4885

“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.