1,2,3,4-Tetrahydroisoquinoline

1,2,3,4-Tetrahydroisoquinoline

SCHEMBL440578

NC(N)=S.c1ccc2c(c1)CCNC2

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.76
CD44 P16070 2/20 0.76
MAOB P27338 1/20 0.76
HTR2C P28335 1/20 0.58
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44

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 SCHEMBL27957682 0.91 PNMT (0.68) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28764309 0.88 CD44 (0.76) PNMTCD44MAOBHTR2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL29360217 0.87 PNMT (1.00) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL19085 0.87 PNMT (1.00) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28236302 0.87 PNMT (1.00) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL6647088 0.86 PNMT (0.73) PNMTCD44MAOBHTR2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL16291557 0.85 PNMT (0.86) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL6635293 0.85 PNMT (0.95) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL4243903 0.85 PNMT (0.95) PNMTCD44MAOBHTR2CADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL11213530 0.85 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134071-A1 MULTIMODAL ABUSE RESISTANT EXTENDED RELEASE FORMULATIONS THERAQUEST BIOSCIENCES, INC. (US) 2008-11-06 WO claimed
WO-2008033351-A2 MULTIMODAL ABUSE RESISTANT AND EXTENDED RELEASE FORMULATIONS THERAQUEST BIOSCIENCES, INC. (US) 2008-03-20 WO claimed
WO-2008027442-A2 ABUSE DETERRENT ORAL PHARMACEUTICAL FORMULATIONS OF OPIOID AGONISTS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-03-06 WO claimed
WO-2008024408-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS FOR APPLICATION TO THE SKIN AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2008-02-28 WO claimed
WO-2008024490-A2 ORAL PHARMACEUTICAL FORMULATIONS OF ABUSE DETERRENT CANNABINOIDS AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2008-02-28 WO claimed
WO-2008021394-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-02-21 WO claimed
US-20060034872-A1 Compositions and methods for preventing abuse of orally administered medications GENERAL HOSPITAL CORPORATION, THE 2006-02-16 US claimed
WO-2003092676-A1 COMPOSITIONS AND METHODS FOR PREVENTING ABUSE OF ORALLY ADMINISTERED MEDICATIONS THE GENERAL HOSPITAL CORPORATION (US) 2003-11-13 WO claimed
EP-3045043-A1 EXTENDED RELEASE ORAL PHARMACEUTICAL COMPOSITIONS OF 3-HYDROXY-N-METHYLMORPHINAN AND METHOD OF USE Relmada Therapeutics, Inc. (US) 2016-07-20 EP disclosed
EP-2448406-B1 EXTENDED RELEASE ORAL PHARMACEUTICAL COMPOSITIONS OF 3-HYDROXY-N-METHYLMORPHINAN AND METHOD OF USE RELMADA THERAPEUTICS INC (US) 2016-04-20 EP disclosed
US-9125833-B2 Multimodal abuse resistant and extended release opioid formulations RELMADA THERAPEUTICS, INC. (US) 2015-09-08 US disclosed
US-20120178771-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use RELMADA THERAPEUTICS, INC. 2012-07-12 US disclosed
EP-2448406-A1 EXTENDED RELEASE ORAL PHARMACEUTICAL COMPOSITIONS OF 3-HYDROXY-N-METHYLMORPHINAN AND METHOD OF USE Relmada Therapeutics, Inc. (US) 2012-05-09 EP disclosed
US-20120065221-A1 Extended Release Oral Pharmaceutical Compositions of 3-Hydroxy-N-Methylmorphinan and Method of Use THERAQUEST BIOSCIENCES, INC. (PA) 2012-03-15 US disclosed
WO-2008027442-A2 ABUSE DETERRENT ORAL PHARMACEUTICAL FORMULATIONS OF OPIOID AGONISTS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-03-06 WO disclosed
WO-2008024408-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS FOR APPLICATION TO THE SKIN AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2008-02-28 WO disclosed
WO-2008024490-A2 ORAL PHARMACEUTICAL FORMULATIONS OF ABUSE DETERRENT CANNABINOIDS AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2008-02-28 WO disclosed
WO-2008021394-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-02-21 WO disclosed
US-20060034872-A1 Compositions and methods for preventing abuse of orally administered medications GENERAL HOSPITAL CORPORATION, THE 2006-02-16 US disclosed
WO-2003092676-A1 COMPOSITIONS AND METHODS FOR PREVENTING ABUSE OF ORALLY ADMINISTERED MEDICATIONS THE GENERAL HOSPITAL CORPORATION (US) 2003-11-13 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-20120178771-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use OPRK1, OPRM1, OPRD1 PNMT 422/4885CD44 2270/4885MAOB 78/4885

“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.