SCHEMBL182652

SCHEMBL182652

CCOC(=O)COc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NTSR1 P30989 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TLR9 Q9NR96 2/20 0.49
NPC1 O15118 1/20 0.49
S1PR4 O95977 1/20 0.49
ITGA4 P13612 1/20 0.49
S1PR1 P21453 1/20 0.49
RAB9A P51151 1/20 0.49
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4173816 0.86 MAPT (0.51) MAPTLMNAALDH1A1HPGDMAPK1
SCHEMBL6960 0.85 ALDH1A1 (0.56) MAPTLMNAALDH1A1HPGDNPSR1
SCHEMBL7447406 0.85 MAPK1 (0.54) MAPTLMNAALDH1A1HPGDNPSR1
SCHEMBL4261703 0.85 MAPT (0.51) MAPTLMNAALDH1A1HPGDNPSR1
SCHEMBL14476311 0.85 MEN1 (0.47) MAPTLMNAALDH1A1HPGDNPSR1
SCHEMBL182622 0.84 RAB9A (0.56) MAPTLMNAALDH1A1HPGDNPSR1
SCHEMBL27732122 0.84 POLB (0.58) MAPTLMNAALDH1A1HPGDNPSR1
SCHEMBL2925357 0.84 ALDH1A1 (0.53) MAPTLMNAALDH1A1HPGDNPSR1
SCHEMBL22609397 0.84 LMNA (0.54) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL6813898 0.82 CYP4F2 (0.48) MAPTLMNAALDH1A1HPGDNPSR1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975862-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2018-05-22 US disclosed
US-9975862-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2018-05-22 US disclosed
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9604944-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-9604944-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-9604944-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
CN-106045936-A COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES 雷维瓦药品公司 2016-10-26 CN disclosed
EP-2400968-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-09-28 EP disclosed
WO-2010099502-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-08-26 US disclosed
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-08-26 US disclosed
WO-2009154993-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2009154993-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
EP-0124067-B1 2-(AMINOALKYL)-PYRROLE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1986-12-17 EP disclosed
EP-0171702-A1 Benzoxazinone derivatives, preparation and use BEECHAM GROUP PLC (GB) 1986-02-19 EP disclosed
EP-0124067-A1 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use CASSELLA Aktiengesellschaft (DE) 1984-11-07 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, GRIK2 MAPT 2251/4885LMNA 4594/4885ALDH1A1 163/4885
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D MAPT 692/4885LMNA 3185/4885ALDH1A1 860/4885
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES GRIK5, HTR5A, KYNU MAPT 1726/4885LMNA 3688/4885ALDH1A1 623/4885

“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.