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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1306329 | 0.91 | ALOX15 (0.41) | MGAMGAASIMGAM2ALOX15 | |
| Hydrochloric Acid SCHEMBL755483 | 0.89 | ALOX15 (0.39) | MGAMGAASIMGAM2ALOX15 | |
| Bromide SCHEMBL1494095 | 0.89 | ALOX15 (0.39) | MGAMGAASIMGAM2ALOX15 | |
| SCHEMBL1305671 | 0.83 | POLB (0.40) | MGAMGAASIMGAM2ALOX15 | |
| SCHEMBL17893420 | 0.82 | ALDH1A1 (0.46) | MGAMGAASIMGAM2ALOX15 | |
| Hydrochloric Acid SCHEMBL18075817 | 0.82 | SMN1; SMN2 (0.39) | MGAMGAASIMGAM2ALOX15 | |
| SCHEMBL1493755 | 0.81 | CYP3A4 (0.49) | GAAALDH1A1KMT2AOPRM1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL1493735 | 0.79 | OPRM1 (0.36) | MGAMGAASIMGAM2ALOX15 | |
| SCHEMBL10151903 | 0.77 | SMN1; SMN2 (0.38) | MGAMGAASIMGAM2ALOX15 | |
| SCHEMBL24189316 | 0.77 | POLB (0.43) | MGAMGAASIMGAM2ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915427-B2 | Process for producing aminoacetyl pyrrolidine carbonitrile derivative and intermediate for production thereof | KYORIN PHARMACEUTICALS CO., LTD. (JP) | 2011-03-29 | — | — | US | disclosed |
| US-20090048454-A1 | Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof | KYORIN PHARMACEUTICALS CO., LTD. (JP) | 2009-02-19 | — | — | US | disclosed |
| EP-1995237-A1 | METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND PRODUCTION INTERMEDIATE THEREOF | Kyorin Pharmaceutical Co., Ltd. (JP) | 2008-11-26 | — | — | 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 (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-20090048454-A1 | Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof | CBR3, CPS1, CBR1 | SLC6A4 4673/4885ADRA1A 840/4885MGAM 3827/4885 |
“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.