Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.33 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3897137 | 1.00 | HTR3B (0.34) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL4235488 | 0.84 | HTR3B (0.35) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL829452 | 0.79 | TSHR (0.43) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL718791 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL30739530 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL829845 | 0.73 | TSHR (0.48) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL334090 | 0.71 | MTNR1B (0.35) | ADRA2AADRA2C | |
| SCHEMBL18937552 | 0.69 | OPRM1 (0.43) | OPRM1OPRK1OPRL1 | |
| SCHEMBL1766019 | 0.68 | — | — | |
| SCHEMBL1385407 | 0.67 | HTR3B (0.37) | HTR3BADRA2AKCNE1ADRA2CCHRM3 |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6908931-B2 | Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-21 | — | — | US | claimed |
| US-20040235891-A1 | Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-25 | — | — | US | claimed |
| US-6642247-B2 | Treting anxiety, stress, depression, trauma, Alzheimer's mediated memory loss, epilepsy, arterial blood pressure disorders, obesity, acute pain, chronic pain, Na+ excretion, control of water balance, and symptoms associated with drug | HOFFMAN-LA ROCHE INC. | 2003-11-04 | — | — | US | claimed |
| US-20030176701-A1 | DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-18 | — | — | US | claimed |
| EP-0963985-B1 | Di-or triaza-spiro(4,5)decane derivatives | HOFFMANN LA ROCHE (CH) | 2003-03-12 | — | — | EP | claimed |
| EP-0963987-B1 | Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) | HOFFMANN LA ROCHE (CH) | 2002-08-28 | — | — | EP | claimed |
| EP-0970957-B1 | Diaza-spiro[3,5] nonane derivatives | HOFFMANN LA ROCHE (CH) | 2001-08-16 | — | — | EP | claimed |
| US-6113527-A | 3,3-BIS-HYDROXYMETHYL-7-(CIS-4-ISOPROPYL-CYCLOHEXYL)-1-PHENYL -1,7-DIAZA-SPIRO-(3.5)NONANE-2-ONE, FOR EXAMPLE; AGONISTS OF THE ORPHANIN FQ (OFQ) RECEPTOR; USEFUL IN THE TREATMENT OF PSYCHIATRIC, NEUROLOGICAL AND PHYSIOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 2000-09-05 | — | — | US | claimed |
| US-6075034-A | Spiro[piperidine-4,1'-pyrrolo [3,4-C] pyrrole]derivatives | HOFFMANN-LA ROCHE INC. (US) | 2000-06-13 | — | — | US | claimed |
| EP-0970957-A1 | Diaza-spiro[3,5] nonane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2000-01-12 | — | — | EP | claimed |
| EP-0963985-A2 | Di-or triaza-spiro(4,5)decane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-15 | — | — | EP | claimed |
| EP-0963987-A2 | Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-15 | — | — | EP | claimed |
| US-20140171466-A1 | PAIN MANAGEMENT IN SICKLE CELL ANEMIA | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2014-06-19 | — | — | US | disclosed |
| EP-1601674-A2 | HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-12-07 | — | — | EP | disclosed |
| US-6908931-B2 | Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-21 | — | — | US | disclosed |
| US-20040235891-A1 | Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-25 | — | — | US | disclosed |
| EP-0970957-A1 | Diaza-spiro[3,5] nonane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2000-01-12 | — | — | EP | disclosed |
| EP-0963985-A2 | Di-or triaza-spiro(4,5)decane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-15 | — | — | EP | disclosed |
| EP-0963985-A2 | Di-or triaza-spiro(4,5)decane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-15 | — | — | EP | disclosed |
| EP-0963987-A2 | Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-15 | — | — | 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 (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030176701-A1 | DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES | NPY4R, NPY1R, OXER1 | HTR3B 624/4885ADRA2A 49/4885KCNE1 774/4885 |
| US-20040235891-A1 | Tetrahydroisoquinoline derivatives as melatonin MT2 antagonists | MTNR1A, MTNR1B, PER2 | HTR3B 26/4885ADRA2A 169/4885KCNE1 903/4885 |
| US-20140171466-A1 | PAIN MANAGEMENT IN SICKLE CELL ANEMIA | OPRL1, OPRM1, OPRK1 | HTR3B 74/4885ADRA2A 31/4885KCNE1 2335/4885 |
“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.