Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 3/20 | 0.43 |
| ▸ | CCND1 | P24385 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4820705 | 0.85 | CDK4 (0.45) | CDK4CCND1LMNAMAPTALDH1A1 | |
| SCHEMBL4825501 | 0.85 | ALDH1A1 (0.41) | CDK4CCND1CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL4828796 | 0.84 | CDK4 (0.44) | CDK4CCND1MAPTHTT | |
| SCHEMBL4823725 | 0.84 | CDK4 (0.44) | CDK4CCND1MAPTHTT | |
| SCHEMBL4828761 | 0.81 | HTT (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL2437933 | 0.81 | CHRNB2 (0.43) | CDK4CCND1LMNAMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL4827687 | 0.80 | CHRNB2 (0.43) | CDK4CCND1LMNAMAPTALDH1A1 | |
| SCHEMBL4829132 | 0.80 | ROCK2 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4825380 | 0.76 | CDK4 (0.48) | CDK4CCND1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL650723 | 0.75 | CHRNB2 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA |
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-20050043291-A1 | Heterocyclic substituted aminoazacycles useful as central nervous system agents | ABBVIE INC. | 2005-02-24 | — | — | US | disclosed |
| US-6833370-B1 | Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine | ABBOTT LABORATORIES | 2004-12-21 | — | — | US | disclosed |
| EP-1428824-A1 | Heterocyclic substituted aminoazacycles useful as central nervous system agents | ABBOTT LABORATORIES (US) | 2004-06-16 | — | — | 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-20050043291-A1 | Heterocyclic substituted aminoazacycles useful as central nervous system agents | GRIN3A, GAP43, GRIN3B | EGFR 2915/4885CDK4 2502/4885CCND1 1740/4885 |
“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.