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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.49 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.49 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.49 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL8022514 | 0.96 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL4686736 | 0.94 | CA1 (0.57) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL28357735 | 0.83 | LOXL2 (0.57) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL10858807 | 0.82 | MAPT (0.39) | HTTTSHRKMT2ACA1CA2 | |
| SCHEMBL294284 | 0.82 | LOXL2 (0.55) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL515030 | 0.80 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL2999944 | 0.80 | CA2 (0.59) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL6940919 | 0.80 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL1425484 | 0.80 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A | |
| SCHEMBL515031 | 0.80 | LOXL2 (0.53) | LOXL2HTTTSHRMEN1KMT2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118980097-A | Alkaline wastewater incinerator and environment-friendly treatment control method thereof | 湖北东方化工有限公司 | 2024-11-19 | — | — | CN | disclosed |
| EP-2081893-B1 | SUBSTITUTED INDOLES | AUSPEX PHARMACEUTICALS INC (US) | 2011-03-23 | — | — | EP | disclosed |
| US-20090281114-A1 | INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION | FABRE-KRAMER PHARMACEUTICALS, INC. (US) | 2009-11-12 | — | — | US | disclosed |
| WO-2009137733-A1 | INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION | FABRE-KRAMER PHARMACEUTICALS, INC. (US) | 2009-11-12 | — | — | WO | disclosed |
| US-6025374-A | Azetidine, pyrrolidine and piperidine derivatives as 5HT1 receptor agonists | MERCK SHARP & DOHME, LTD. (GB) | 2000-02-15 | — | — | US | disclosed |
| EP-0796258-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-09-24 | — | — | EP | disclosed |
| US-5550239-A | REACTING TRIALKYLSILYL N-PENTYLPIPERAZINYLPYRIMIDINE DERIVATIVE WITH 4-AMINO-3-IODO-BENZENESULFONAMIDE COMPOUND IN PALLADIUM CATALYZED HETEROANNULATION STEP, REMOVING TRIALKYLSILYL GROUP WITH MINERAL ACID, BASIFYING | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-08-27 | — | — | US | disclosed |
| WO-1996017842-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-06-13 | — | — | WO | disclosed |
| EP-0711769-A1 | Improved process for large-scale production of BMS 180048 and analogs | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-15 | — | — | EP | disclosed |
| US-5434154-A | Serotonin agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-07-18 | — | — | US | disclosed |
| CN-1085556-A | The 4-pyrimidyl and the pyridinyl derivatives of the indol-3-yl alkylpiperazine of anti-migraine | BRISTOL MYERS SQUIBB CO (US) | 1994-04-20 | — | — | CN | disclosed |
| US-5300506-A | Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-04-05 | — | — | US | disclosed |
| EP-0548813-A1 | Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines | Bristol-Myers Squibb Company (US) | 1993-06-30 | — | — | EP | 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-20090281114-A1 | INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION | HTR5A, TPH2, IDO2 | CA1 4782/4885CA2 4727/4885CA12 4735/4885 |
“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.