Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4200905 | 0.89 | CTSS (0.53) | SIGMAR1KDM4EHSD17B10CYP2C19SMN1; SMN2 | |
| SCHEMBL17301746 | 0.83 | SIGMAR1 (0.60) | SIGMAR1KDM4EHSD17B10MCHR1ALDH1A1 | |
| SCHEMBL17294718 | 0.80 | SIGMAR1 (0.65) | SIGMAR1CYP2C19CYP2D6CYP2C9MCHR1 | |
| SCHEMBL17294724 | 0.80 | SIGMAR1 (0.65) | SIGMAR1CYP2C19CYP2D6CYP2C9MCHR1 | |
| SCHEMBL17294721 | 0.80 | SIGMAR1 (0.65) | SIGMAR1CYP2C19CYP2D6CYP2C9MCHR1 | |
| SCHEMBL3306841 | 0.80 | SIGMAR1 (0.68) | SIGMAR1CYP2C19SMN1; SMN2ALDH1A1DRD4 | |
| SCHEMBL18658213 | 0.79 | SIGMAR1 (0.61) | SIGMAR1CYP2C19SMN1; SMN2CYP2D6CYP2C9 | |
| SCHEMBL2317579 | 0.79 | SIGMAR1 (0.64) | SIGMAR1MCHR1ALDH1A1DRD4DRD2 | |
| Hydrochloric Acid SCHEMBL4198661 | 0.78 | SIGMAR1 (0.62) | SIGMAR1ALDH1A1DRD4DRD2DRD3 | |
| SCHEMBL4848461 | 0.77 | SIGMAR1 (0.65) | SIGMAR1CYP2C19SMN1; SMN2ALDH1A1DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1968952-B1 | 3-(4-PIPERIDINYL)-2,3,4,5-TETRAHYDRO-1,3-BENZODIAZEPINE-2(1H)-ONE | BOEHRINGER INGELHEIM INT (DE) | 2011-08-10 | — | — | EP | disclosed |
| US-7473778-B2 | 3-(4-piperidinyl)-2,3,4,5-tetrahydro-1,3-benzodiazepin-2(1H)-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-01-06 | — | — | US | disclosed |
| US-20080009617-A1 | 3-(4-PIPERIDINYL)-2,3,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-2(1H)-ON | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-01-10 | — | — | US | 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-20080009617-A1 | 3-(4-PIPERIDINYL)-2,3,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-2(1H)-ON | HTR3B, HTR1A, TRPV1 | SIGMAR1 686/4885KDM4E 1576/4885HSD17B10 4086/4885 |
“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.