1,2,3,4-Tetrahydroisoquinoline

1,2,3,4-Tetrahydroisoquinoline

SCHEMBL2586959

c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCNC2

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.66
CD44 P16070 1/20 0.66
MAOB P27338 1/20 0.66
HTR2C P28335 1/20 0.50
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
TSHR P16473 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAPT P10636 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40

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 SCHEMBL985673 0.95 PNMT (0.63) PNMTCD44MAOBHTR2CALOX15
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28542017 0.91 PNMT (0.73) PNMTCD44MAOBHTR2CALOX15
Indoline SCHEMBL2426723 0.85 MAPT (0.47) PNMTCD44MAOBHTR2CALOX15
SCHEMBL18172 0.85 MAPT (0.50) PNMTCD44MAOBHTR2CALOX15
SCHEMBL27392334 0.85 MAPT (0.50) PNMTCD44MAOBHTR2CALOX15
SCHEMBL29370549 0.85 MAPT (0.50) PNMTCD44MAOBHTR2CALOX15
Piperazine SCHEMBL28330011 0.83 HTR2C (0.48) PNMTCD44MAOBHTR2CALOX15
SCHEMBL8215775 0.83 MAPT (0.48) PNMTCD44MAOBHTR2CALOX15
Hydrochloric Acid SCHEMBL5370795 0.83 MAPT (0.48) HTR2CALOX15HSD17B10TSHRADRA2A
Phosphine SCHEMBL241499 0.83 MAPT (0.48) PNMTCD44MAOBHTR2CALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US claimed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP claimed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 WO claimed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
CN-100427513-C Catalyst for polymerization or copolymerization of alpha-olefin, catalyst component therefor, and method for polymerization of alpha-olefin using the catalyst UBE INDUSTRIES (JP) 2008-10-22 CN disclosed
CN-1675255-A Catalyst for polymerization or copolymerization of alpha-olefin, catalyst component therefor, and method for polymerization of alpha-olefin using the catalyst UBE INDUSTRIES (JP) 2005-09-28 CN disclosed
CN-1162452-C Process for polymerization of alpha-olefins, polyalphaolefins prepared thereby, and aminosilane compounds useful as components of catalysts for such process 三井化学株式会社 2004-08-18 CN disclosed
CN-1184120-A Process for polymerization of alpha-olefins, polyalphaolefins prepared thereby, and aminosilane compounds useful as components of catalysts for such process GRAND POLYMER CO LTD (JP) 1998-06-10 CN 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 PNMT 3463/4885CD44 4515/4885MAOB 761/4885

“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.