SCHEMBL1045802

SCHEMBL1045802

c1ccc(CCCNOc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD4 P21917 2/20 0.58
DRD3 P35462 2/20 0.58
SIGMAR1 Q99720 7/20 0.57
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
BCHE P06276 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 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
SCHEMBL1101359 0.88 GAA (0.53) DRD2DRD4DRD3SIGMAR1MEN1
Oxalic Acid SCHEMBL7318666 0.81 TAAR1 (0.58) MEN1KMT2AL3MBTL1GAA
SCHEMBL321109 0.78 ALDH1A1 (0.45) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL3227303 0.78 LTA4H (0.47) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL31438227 0.78 SIGMAR1 (0.59) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL5306298 0.77 HTR2A (0.51) SIGMAR1MEN1KMT2ABCHEHPGD
SCHEMBL8371908 0.77 MEN1 (0.49) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL10693909 0.76 SIGMAR1 (0.57) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL3229694 0.76 LTA4H (0.47) DRD2DRD3SIGMAR1HPGD
Hydrochloric Acid SCHEMBL10766746 0.75 MEN1 (0.51) DRD2DRD4DRD3SIGMAR1MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
WO-2011059207-A2 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2011-05-19 WO disclosed
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 WO disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed
US-20020151543-A1 Compositions and methods employing R (-) fluoxetine and other active ingredients SEPRACOR INC. 2002-10-17 US disclosed
WO-2000024399-A1 COMPOSITIONS AND METHODS EMPLOYING R(-) FLUOXETINE AND OTHER ACTIVE INGREDIENTS SEPRACOR INC. (US) 2000-05-04 WO disclosed
WO-1999061014-A2 COMPOSITIONS AND METHODS EMPLOYING R(-) FLUOXETINE AND OTHER ACTIVE INGREDIENTS SEPRACOR INC. (US) 1999-12-02 WO disclosed
US-4895845-A RESERPINE AND TRAZODONE, BUPROPION OR FLUOXETINE ANTIDEPRESSANT SEED JOHN C (US) 1990-01-23 US disclosed
US-4895845-A RESERPINE AND TRAZODONE, BUPROPION OR FLUOXETINE ANTIDEPRESSANT SEED JOHN C (US) 1990-01-23 US disclosed
US-4584404-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1986-04-22 US 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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R DRD2 347/4885DRD4 425/4885DRD3 517/4885
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF ADORA2A, P2RX5, PNP DRD2 137/4885DRD4 174/4885DRD3 363/4885
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A DRD2 108/4885DRD4 163/4885DRD3 418/4885

“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.