Sugi Predict

Sugi Predict / Compounds / 1,2,3,4-Tetrahydroisoquinoline

1,2,3,4-Tetrahydroisoquinoline

1,2,3,4-Tetrahydroisoquinoline

SCHEMBL1747872

CCC(N)N.c1ccc2c(c1)CCNC2

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 4/20 0.68
▸ CD44 P16070 2/20 0.68
▸ MAOB P27338 1/20 0.68
▸ HTR2C P28335 1/20 0.52
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ASIC3 Q9UHC3 1/20 0.41

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
1,2,3,4-Tetrahydroisoquinoline SCHEMBL2084611 0.84 CD44 (0.70) PNMTCD44MAOBHTR2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL29360217 0.82 PNMT (1.00) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28236302 0.82 PNMT (1.00) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL19085 0.82 PNMT (1.00) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL11213400 0.81 PNMT (0.73) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28083525 0.81 PNMT (0.86) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL16291557 0.81 PNMT (0.86) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL2082936 0.80 PNMT (0.95) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL11213530 0.80 PNMT (0.95) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL20524019 0.80 PNMT (0.95) PNMTCD44MAOBHTR2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 — — US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 — — 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 (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-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BACE1, APP, BACE2 PNMT 1489/4885CD44 4883/4885MAOB 1464/4885

“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.