Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.47 |
| ▸ | HTR2C | P28335 | 6/20 | 0.47 |
| ▸ | HTR2B | P41595 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3267595 | 0.77 | HTR2C (0.44) | HTR2AHTR2CKDM4ECYP2D6GPR84 | |
| SCHEMBL1587240 | 0.76 | HTR2A (0.57) | HTR2AHTR2CCYP2D6CYP3A4TSHR | |
| SCHEMBL1223582 | 0.76 | GPR84 (0.69) | HTR2AHTR2CHTR2BKDM4ECYP2D6 | |
| SCHEMBL2257565 | 0.75 | CSNK2A1 (0.45) | HTR2AKDM4EGPR84NR3C1POLB | |
| Hydrochloric Acid SCHEMBL7817897 | 0.75 | HTR2A (0.55) | HTR2AHTR2CHTR2BCYP2D6MEN1 | |
| SCHEMBL2673123 | 0.73 | KDM4E (0.55) | KDM4EMEN1ALDH1A1KMT2ATSHR | |
| SCHEMBL12618879 | 0.73 | GRIN2D (0.39) | HTR2AKDM4EHSD17B10GPR84NR3C1 | |
| SCHEMBL5273347 | 0.72 | KDM4E (0.62) | HTR2AHTR2CHTR2BKDM4ECYP2D6 | |
| SCHEMBL2847756 | 0.72 | ICMT (0.51) | HTR2AKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL27697649 | 0.70 | KDM4E (0.41) | KDM4EMEN1ALDH1A1KMT2ATSHR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2146572-B1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-11-20 | — | — | EP | disclosed |
| US-8173655-B2 | Bicyclic anilide heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-05-08 | — | — | US | disclosed |
| US-8003792-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs | MERCK SHARP & DOHME CORP. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20100093759-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-04-15 | — | — | US | disclosed |
| EP-1797073-B1 | BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-04-14 | — | — | EP | disclosed |
| EP-2146572-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| EP-1797073-A4 | BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008130512-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-10-30 | — | — | WO | disclosed |
| US-20080096878-A1 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs | MERCK SHARP & DOHME LLC | 2008-04-24 | — | — | US | disclosed |
| CN-101018781-A | Bicyclic N-anilide spirolactam CGRP receptor antagonists | MERCK & CO INC (US) | 2007-08-15 | — | — | CN | disclosed |
| EP-1797073-A2 | BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006031610-A2 | BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-03-23 | — | — | 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 (2 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-20080096878-A1 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs | CALCB, BDKRB2, BDKRB1 | HTR2A 68/4885HTR2C 124/4885HTR2B 54/4885 |
| US-20100093759-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | BDKRB1, BDKRB2, CCKBR | HTR2A 218/4885HTR2C 401/4885HTR2B 181/4885 |
“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.