Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.44 |
| ▸ | GNRHR known ✓ | P30968 | 1/20 | 0.41 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | VEGFA | P15692 | 1/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL346982 | 0.86 | ALDH1A1 (0.74) | ALDH1A1NPSR1VEGFAEGLN1HRH3 | |
| SCHEMBL348744 | 0.84 | ALDH1A1 (0.53) | ALDH1A1NPSR1VEGFAEGLN1HRH3 | |
| SCHEMBL1087440 | 0.83 | ALDH1A1 (0.51) | ALDH1A1NPSR1VEGFAEGLN1CHRM2 | |
| SCHEMBL31349287 | 0.80 | POLB (0.56) | ALDH1A1NPSR1VEGFAEGLN1CHRM2 | |
| SCHEMBL4659579 | 0.80 | CHRM2 (0.45) | ALDH1A1NPSR1VEGFAEGLN1CHRM2 | |
| SCHEMBL4938599 | 0.76 | VEGFA (0.56) | ALDH1A1NPSR1VEGFAEGLN1HRH3 | |
| SCHEMBL2858333 | 0.76 | TP53 (0.58) | ALDH1A1VEGFAEGLN1HRH3CHRM2 | |
| SCHEMBL5536182 | 0.76 | VEGFA (0.68) | NPSR1VEGFAEGLN1CHRM2CHRM4 | |
| SCHEMBL18608789 | 0.76 | MEN1 (0.58) | NPSR1VEGFAEGLN1HRH3CHRM2 | |
| SCHEMBL4156092 | 0.76 | VEGFA (0.58) | NPSR1VEGFAEGLN1HRH3CHRM2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8759352-B2 | 1-(4-ureidobenzoyl)piperazine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2014-06-24 | — | — | US | disclosed |
| EP-2318368-B1 | 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES | MERCK SHARP & DOHME (NL) | 2013-10-16 | — | — | EP | disclosed |
| US-20120015958-A1 | 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES | N.V. ORGANON (NL) | 2012-01-19 | — | — | US | disclosed |
| EP-2318368-A1 | 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES | N.V. Organon (NL) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010025179-A1 | 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES | N.V. ORGANON (NL) | 2010-03-04 | — | — | 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-20120015958-A1 | 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES | NPC1, ABCB11, NPC1L1 | CA12 4287/4885CA1 4121/4885CA2 1741/4885 |
“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.