Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.67 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7282542 | 0.80 | SIGMAR1 (0.58) | SIGMAR1OPRM1MEN1KMT2AACHE | |
| SCHEMBL7435696 | 0.80 | NPC1 (0.51) | SIGMAR1OPRM1MEN1POLBKMT2A | |
| SCHEMBL3086835 | 0.73 | ACHE (0.69) | SIGMAR1OPRM1ACHE | |
| SCHEMBL28988920 | 0.73 | CHRM2 (0.50) | SIGMAR1OPRM1NPC1JAK2RAB9A | |
| SCHEMBL28988890 | 0.72 | HTR1A (0.54) | MEN1KMT2AACHEDRD2 | |
| SCHEMBL7807310 | 0.72 | DRD4 (0.63) | DRD4SIGMAR1POLBACHEATM | |
| SCHEMBL6545547 | 0.72 | NPC1 (0.88) | MEN1POLBKMT2ANPC1JAK2 | |
| SCHEMBL28988886 | 0.71 | HTR1A (0.53) | MEN1KMT2AACHEDRD2 | |
| SCHEMBL19049114 | 0.71 | NPC1 (0.67) | SIGMAR1OPRM1MEN1KMT2AACHE | |
| SCHEMBL7556163 | 0.71 | SIGMAR1 (0.65) | DRD4SIGMAR1MEN1POLBKMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020045626-A1 | Benzylpiperazinyl and piperidinyl ethanone derivatives: dopamine receptor subtype specific ligands | NEUROGEN CORPORATION | 2002-04-18 | — | — | US | claimed |
| US-6084098-A | HIGH AFFINITY AND SELECTIVITY IN BINDING TO THE D4 RECEPTOR SUBTYPE; NEUROLEPTIC, DOPAMINERGIC AGENTS; SCHIZOPHRENIA, MANIA, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; PARKINSONISM; TARDIVE DYSKINESIAS; CNS | NEUROGEN CORPORATION (US) | 2000-07-04 | — | — | US | claimed |
| US-6444819-B1 | NEUROLEPTIC AGENTS;D4 RECEPTOR ANTAGONIST;SIDE EFFECT REDUCTION;SCHIZOPHRENIA;DRUG ABUSE, DRUG DEPENDENCE; ANXIOLYTICS; ANTIDEPRESSANTS;COGNITION ACTIVATORS. | NEUROGEN CORPORATION | 2002-09-03 | — | — | US | disclosed |
| US-20020045626-A1 | Benzylpiperazinyl and piperidinyl ethanone derivatives: dopamine receptor subtype specific ligands | NEUROGEN CORPORATION | 2002-04-18 | — | — | US | disclosed |
| US-6316470-B1 | Benzylpiperazinyl and piperidinyl ethanone derivatives: dopamine receptor subtype specific ligands | NEUROGEN CORPORATION | 2001-11-13 | — | — | US | disclosed |
| EP-1068193-A1 | BENZYLPIPERAZINYL- AND BENZYLPIPERIDINYL ETHANONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D 4? RECEPTOR ANTAGONISTS | NEUROGEN CORPORATION (US) | 2001-01-17 | — | — | EP | disclosed |
| US-6084098-A | HIGH AFFINITY AND SELECTIVITY IN BINDING TO THE D4 RECEPTOR SUBTYPE; NEUROLEPTIC, DOPAMINERGIC AGENTS; SCHIZOPHRENIA, MANIA, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; PARKINSONISM; TARDIVE DYSKINESIAS; CNS | NEUROGEN CORPORATION (US) | 2000-07-04 | — | — | US | disclosed |
| WO-1999043670-A1 | BENZYLPIPERAZINYL- AND BENZYLPIPERIDINYL ETHANONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D4 RECEPTOR ANTAGONISTS | NEUROGEN CORPORATION (US) | 1999-09-02 | — | — | 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-20020045626-A1 | Benzylpiperazinyl and piperidinyl ethanone derivatives: dopamine receptor subtype specific ligands | DRD2, DRD3, OPRD1 | DRD4 4/4885SIGMAR1 46/4885OPRM1 8/4885 |
“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.