SCHEMBL1045801

SCHEMBL1045801

CCC(N)c1ccccc1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
HRH1 P35367 1/20 0.43
SLC6A4 P31645 3/20 0.42
RIPK1 Q13546 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 2/20 0.41
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CTNNB1 P35222 1/20 0.40
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
SCN4A P35499 2/20 0.38

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
SCHEMBL1471140 0.84 HRH1 (0.49) LTA4HHRH1SLC6A4RIPK1SLC6A2
SCHEMBL2201298 0.83 SLC6A4 (0.50) LTA4HHRH1SLC6A4RIPK1SLC6A2
Ammonia Solution, Strong SCHEMBL7130183 0.81 SLC6A4 (0.49) LTA4HHRH1SLC6A4RIPK1SLC6A2
SCHEMBL27706101 0.81 CA1 (0.48) ALDH1A1HTTL3MBTL1TSHR
SCHEMBL12261507 0.81 ALDH1A1 (0.55) HTR2AALDH1A1L3MBTL1SCN4A
SCHEMBL6680297 0.80 TSHR (0.50) LTA4HHRH1SLC6A4RIPK1SLC6A2
SCHEMBL29960384 0.80 TSHR (0.50) LTA4HHRH1SLC6A4RIPK1SLC6A2
SCHEMBL3034914 0.79 SLC6A4 (0.49) LTA4HHRH1SLC6A4RIPK1SLC6A2
SCHEMBL11566270 0.79 LTA4H (0.46) LTA4HHRH1SLC6A4RIPK1SLC6A2
SCHEMBL1070096 0.79 LMNA (0.47) LTA4HHRH1SLC6A4RIPK1SLC6A2

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 14 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

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 LTA4H 3171/4885HRH1 715/4885SLC6A4 111/4885
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF ADORA2A, P2RX5, PNP LTA4H 2230/4885HRH1 786/4885SLC6A4 76/4885
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A LTA4H 2628/4885HRH1 599/4885SLC6A4 35/4885

“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.