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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 4/20 | 0.46 |
| ▸ | VEGFA | P15692 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3265007 | 0.88 | ACKR3 (0.49) | HRH3ACKR3VEGFAEGLN1PIK3CD | |
| SCHEMBL13458583 | 0.86 | HRH3 (0.46) | HRH3ACKR3VEGFAEGLN1PIK3CD | |
| SCHEMBL348818 | 0.84 | ACKR3 (0.51) | HRH3ACKR3VEGFAEGLN1PIK3CD | |
| SCHEMBL347902 | 0.84 | HRH3 (0.44) | HRH3ACKR3PIK3CDALDH1A1LMNA | |
| SCHEMBL6183439 | 0.75 | ACKR3 (0.45) | ACKR3VEGFAEGLN1GBA1ALDH1A1 | |
| SCHEMBL2733360 | 0.75 | CYP3A4 (0.60) | ALDH1A1 | |
| SCHEMBL1929314 | 0.75 | CNR2 (0.51) | ACKR3VEGFAEGLN1PIK3CDALDH1A1 | |
| SCHEMBL28746914 | 0.75 | ACKR3 (0.47) | ACKR3VEGFAEGLN1CHRM2CHRM4 | |
| SCHEMBL21579067 | 0.74 | ACKR3 (0.49) | ACKR3VEGFAEGLN1PIK3CDCHRM2 | |
| SCHEMBL2734028 | 0.74 | ALDH1A1 (0.60) | ACKR3VEGFAEGLN1PIK3CDCHRM2 |
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 6 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 |
| US-20110286969-A1 | DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS | SCHERING CORPORATION (US) | 2011-11-24 | — | — | 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 (2 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 | HRH3 1328/4885ACKR3 1675/4885VEGFA 3521/4885 |
| US-20110286969-A1 | DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS | PEPD, PREP, ACE | HRH3 2183/4885ACKR3 1327/4885VEGFA 4865/4885 |
“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.