Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 18/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | METAP2 | P50579 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL440056 | 0.94 | CALCRL (0.53) | CALCRLCYP3A4METAP2 | |
| SCHEMBL2215067 | 0.94 | CALCRL (0.53) | CALCRLCYP3A4METAP2 | |
| SCHEMBL3896402 | 0.86 | CALCRL (0.53) | CALCRLCYP3A4 | |
| SCHEMBL3896405 | 0.86 | CALCRL (0.53) | CALCRLCYP3A4 | |
| SCHEMBL2213262 | 0.84 | CALCRL (0.55) | CALCRLCYP3A4METAP2 | |
| SCHEMBL2213255 | 0.84 | CALCRL (0.55) | CALCRLCYP3A4METAP2 | |
| SCHEMBL2213978 | 0.81 | CALCRL (0.55) | CALCRLCYP3A4 | |
| SCHEMBL15663868 | 0.81 | CALCRL (0.55) | CALCRLCYP3A4 | |
| SCHEMBL4047932 | 0.80 | CALCRL (0.54) | CALCRLCYP3A4 | |
| SCHEMBL436896 | 0.80 | CALCRL (0.63) | CALCRLCYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140128375-A1 | BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2014-05-08 | — | — | US | disclosed |
| EP-2091533-B1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-11-28 | — | — | EP | disclosed |
| US-20120065190-A1 | BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2012-03-15 | — | — | US | disclosed |
| US-7951795-B2 | Constrained spirocyclic compounds as CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20100069359-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-03-18 | — | — | US | 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-20140128375-A1 | BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | BDKRB1, BDKRB2, CALCRL | CALCRL 3/4885CYP3A4 1522/4885METAP2 2229/4885 |
| US-20120065190-A1 | BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | BDKRB1, BDKRB2, CALCRL | CALCRL 3/4885CYP3A4 1522/4885METAP2 2229/4885 |
| US-20100069359-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | CALCRL, BDKRB1, CALCR | CALCRL 1/4885CYP3A4 3420/4885METAP2 2654/4885 |
“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.