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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 5/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
| ▸ | KAT2B | Q92831 | 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 | |
|---|---|---|---|---|
| SCHEMBL27843365 | 1.00 | SSTR4 (0.37) | SSTR4HCRTR2LMNATDP1CHRNB4 | |
| SCHEMBL7896413 | 0.84 | CHRNB2 (0.43) | CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL3723770 | 0.82 | CHRNB4 (0.45) | CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4 | |
| Varenicline SCHEMBL20553574 | 0.71 | CHRNB2 (0.75) | CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL1741786 | 0.68 | HTR3A (0.42) | HTR3A | |
| SCHEMBL29889400 | 0.68 | HTR3A (0.42) | HTR3A | |
| Hydrochloric Acid SCHEMBL30574211 | 0.67 | CHRNB4 (0.40) | CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL26607626 | 0.67 | CHRNB4 (0.40) | CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL23850965 | 0.66 | KDM4E (0.51) | LMNATDP1 | |
| SCHEMBL7900322 | 0.66 | CHRNB2 (0.38) | CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140088081-A1 | Amino-Heterocyclic Compounds | PFIZER INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-8618117-B2 | Amino-heterocyclic compounds | PFIZER INC. (US) | 2013-12-31 | — | — | US | disclosed |
| EP-2389382-B1 | Amino-heterocyclic compounds used as pde9 inhibitors | PFIZER (US) | 2013-06-05 | — | — | EP | disclosed |
| US-20120329777-A1 | Amino-Heterocyclic Compounds | PFIZER INC. | 2012-12-27 | — | — | US | disclosed |
| US-8278295-B2 | Amino-heterocyclic compounds | PFIZER INC. (US) | 2012-10-02 | — | — | US | disclosed |
| EP-2389382-A1 | Amino-heterocyclic compounds used as pde9 inhibitors | Pfizer Inc. (US) | 2011-11-30 | — | — | EP | disclosed |
| US-8041687-B2 | Dynamic generation of XML Schema for backend driven data validation | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2011-10-18 | — | — | US | disclosed |
| US-20100190771-A1 | AMINO-HETEROCYCLIC COMPOUNDS | PFIZER INC. | 2010-07-29 | — | — | US | disclosed |
| WO-2010084438-A1 | AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS | PFIZER INC. (US) | 2010-07-29 | — | — | 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 (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-20120329777-A1 | Amino-Heterocyclic Compounds | PDE9A, PDE2A, PDE10A | HTR3A 762/4885SSTR4 2344/4885HCRTR2 3247/4885 |
| US-20100190771-A1 | AMINO-HETEROCYCLIC COMPOUNDS | PDE9A, PDE2A, PDE10A | HTR3A 762/4885SSTR4 2344/4885HCRTR2 3247/4885 |
| US-20140088081-A1 | Amino-Heterocyclic Compounds | PDE9A, PDE2A, PDE10A | HTR3A 762/4885SSTR4 2344/4885HCRTR2 3247/4885 |
“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.