Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.53 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.53 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.53 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.53 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.53 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | AGTR2 | P50052 | 4/20 | 0.50 |
| ▸ | PREP | P48147 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Aziridine SCHEMBL3264068 | 0.94 | HTR2C (0.62) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL16379316 | 0.86 | SMN1; SMN2 (0.57) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL17667533 | 0.86 | SMN1; SMN2 (0.57) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL25125018 | 0.85 | HTR2C (0.61) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL16379320 | 0.84 | HTR2C (0.55) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL14336080 | 0.84 | HTR2C (0.57) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL7652421 | 0.83 | SMN1; SMN2 (0.55) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL3941416 | 0.83 | SMN1; SMN2 (0.57) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL4431805 | 0.83 | HTR2C (0.72) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL16081433 | 0.82 | HTR2C (0.58) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2501231-B1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2016-12-21 | — | — | EP | disclosed |
| US-8815909-B2 | Diaminocyclohexane compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-26 | — | — | US | disclosed |
| US-8754220-B2 | Quinolizidinone carboxamide M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-06-17 | — | — | US | disclosed |
| US-8710049-B2 | Diaminocyclohexane compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-04-29 | — | — | US | disclosed |
| US-20130184262-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2013-07-18 | — | — | US | disclosed |
| US-20130184284-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2013-07-18 | — | — | US | disclosed |
| WO-2013012827-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |
| WO-2013012829-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |
| EP-2501231-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-09-26 | — | — | EP | disclosed |
| US-20120232076-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2012-09-13 | — | — | US | disclosed |
| WO-2011062853-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-05-26 | — | — | 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-20130184262-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | NPY4R, NPY2R, NPY1R | HTR2C 127/4885SMN1; SMN2 1881/4885NPC1 2907/4885 |
| US-20130184284-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | NPY4R, NPY2R, NPY1R | HTR2C 127/4885SMN1; SMN2 1881/4885NPC1 2907/4885 |
| US-20120232076-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | CHRM1, CHRM2, CHRM4 | HTR2C 104/4885SMN1; SMN2 2003/4885NPC1 2113/4885 |
“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.