SCHEMBL5160890

SCHEMBL5160890

O=C(NO)C1NCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
OPRM1 P35372 9/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PRCP P42785 2/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL32689446 1.00 TSHR (0.67) TSHRNPSR1HDAC4HDAC7HDAC5
SCHEMBL13646900 0.86 TSHR (0.65) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL11104021 0.83 TSHR (0.66) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL4022286 0.83 TSHR (0.75) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL6204050 0.82 TSHR (0.60) TSHRNPSR1OPRM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11481488 0.82 TSHR (0.68) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL28134799 0.82 TSHR (0.60) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL19960906 0.82 TSHR (0.60) TSHRNPSR1OPRM1SLC6A2SLC6A4
1,2,3,4-Tetrahydroisoquinoline SCHEMBL1027366 0.82 PNMT (0.50) TSHRNPSR1HDAC4HDAC7HDAC5
SCHEMBL514422 0.81 TSHR (0.97) TSHRNPSR1OPRM1SLC6A2SLC6A4

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
CN-121715260-A Tetrahydroisoquinoline hydroxamic acid collecting agent and preparation method thereof 天津天宝翔科技股份有限公司 2026-03-24 CN disclosed
CN-101668746-A As histamine H3Tetrahydroisoquinoline compounds as receptor modulators JANSSEN PHARMACEUTICA NV 2010-03-10 CN disclosed
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US disclosed
CN-101006059-A Substituted tetrahydroisoquinolines for use as MMP inhibitors, method for the production thereof, and use thereof in the form of medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-25 CN disclosed
EP-1763516-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
WO-2006002763-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed
CN-1187332-C Tetrahydroisoquinoline hydroximic acid sulfamide compound, its synthesis method and its application SHANGHAI INST ORGANIC CHEM (CN) 2005-02-02 CN disclosed
CN-1380288-A Tetrahydroisoquinoline hydroximic acid sulfamide compound, its synthesis method and its application SHANGHAI INST ORGANIC CHEM (CN) 2002-11-20 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-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS MMP9, MMP2, MMP3 TSHR 3422/4885NPSR1 1066/4885HDAC4 358/4885

“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.