SCHEMBL1045799

SCHEMBL1045799

CCCN(Oc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
LTA4H P09960 4/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
BCHE P06276 3/20 0.36
ESR1 P03372 1/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA4 P22748 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL11637819 0.85 NPC1 (0.45) LTA4HESR1ALDH1A1
SCHEMBL1101358 0.83 L3MBTL1 (0.41) LTA4HTSHRL3MBTL1CA4ALDH1A1
SCHEMBL9288040 0.79 TP53 (0.40) TP53TRPM8ESR1TSHRALDH1A1
SCHEMBL9836592 0.78 ESR1 (0.47) LTA4HBCHEESR1ALDH1A1
SCHEMBL9289411 0.78 TP53 (0.43) TP53TRPM8ESR1TSHRALDH1A1
SCHEMBL27882736 0.77 LTA4H (0.41) TP53LTA4HBCHETSHRHSD17B10
SCHEMBL27404289 0.75 LTA4H (0.40) TP53LTA4HBCHETSHRHSD17B10
SCHEMBL28038224 0.74 HTR1B (0.52) TSHRALDH1A1
SCHEMBL9793552 0.73 TSHR (0.40) TP53LTA4HBCHETSHRHSD17B10
SCHEMBL27918079 0.73 LTA4H (0.38) TP53LTA4HBCHETSHRHSD17B10

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 26 patents — showing the first 20. 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
EP-1458368-B1 USE OF NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF COGNITIVE FAILURE LILLY CO ELI (US) 2007-11-21 EP 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
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 EP disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 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 TP53 4826/4885LTA4H 3171/4885TRPM8 2517/4885
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF ADORA2A, P2RX5, PNP TP53 4096/4885LTA4H 2230/4885TRPM8 1668/4885
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A TP53 4034/4885LTA4H 2628/4885TRPM8 1010/4885

“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.