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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | ACR | P10323 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL871865 | 0.93 | CA1 (0.52) | STSCA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL871688 | 0.92 | CA1 (0.50) | STSCA1CA2CA12CA9 | |
| SCHEMBL24861978 | 0.87 | AKT1 (0.53) | CA1CA2CA12CA9CA14 | |
| SCHEMBL18662857 | 0.87 | AKT1 (0.50) | CA1CA2CA12CA9CA14 | |
| SCHEMBL19331211 | 0.83 | ALDH1A1 (0.50) | CA1CA2CA12CA9CA14 | |
| SCHEMBL19343523 | 0.79 | NPC1 (0.48) | STSCA1CA2CA12CA9 | |
| SCHEMBL19343552 | 0.77 | ALDH1A1 (0.44) | CA1CA2CA12CA9CA14 | |
| SCHEMBL17508491 | 0.75 | LMNA (0.59) | STSCA1CA2CA12CA9 | |
| SCHEMBL2672851 | 0.75 | CA12 (0.49) | CA1CA2CA12CA9CA14 | |
| SCHEMBL8256047 | 0.75 | CA12 (0.56) | CA1CA2CA12CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2114877-B1 | INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS | MERCK CANADA INC (CA) | 2012-12-26 | — | — | EP | disclosed |
| US-8158671-B2 | Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists | MERCK CANADA INC. (CA) | 2012-04-17 | — | — | US | disclosed |
| US-20090318518-A1 | INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS | MERCK CANADA INC. (CA) | 2009-12-24 | — | — | US | disclosed |
| EP-2114877-A1 | INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS | Merck Frosst Canada Ltd. (CA) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008104055-A1 | INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS | MERCK FROSST CANADA LTD. (CA) | 2008-09-04 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090318518-A1 | INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS | PTGER4, PTGER1, PTGER3 | STS 4718/4885CA1 2641/4885CA2 2167/4885 |
“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.