SCHEMBL113679

SCHEMBL113679

O=C(O)N1CCN(c2ccccc2Br)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.51
ALOX15 P16050 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 3/20 0.49
RBP4 P02753 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL30937462 0.84 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EALOX15CYP1A2
SCHEMBL18600520 0.84 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EALOX15CYP1A2
SCHEMBL16585556 0.83 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EALOX15MEN1
SCHEMBL28235242 0.82 MGLL (0.46) ALDH1A1LMNAKDM4EALOX15CYP1A2
SCHEMBL27926749 0.82 MGLL (0.46) ALDH1A1LMNAKDM4EALOX15CYP1A2
SCHEMBL28311119 0.81 ALOX15 (0.58) ALDH1A1LMNAKDM4EALOX15CYP1A2
SCHEMBL19284723 0.80 HTR6 (0.65) ALDH1A1LMNAKDM4EALOX15CYP1A2
SCHEMBL18600532 0.80 CYP1A2 (0.50) ALDH1A1LMNAKDM4EALOX15CYP1A2
SCHEMBL11087705 0.80 KDM4E (0.49) ALDH1A1LMNAKDM4EALOX15CYP1A2
SCHEMBL1491206 0.80 KMT2A (0.64) ALDH1A1LMNAALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
EP-3495347-A1 NEW PROCESS FOR THE SYNTHESIS OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE LEK Pharmaceuticals d.d. (SI) 2019-06-12 EP disclosed
US-20180072690-A1 Methods for Making Serotonin Reuptake Inhibitors CIPLA LIMITED (IN) 2018-03-15 US disclosed
EP-3274330-A1 METHOD FOR MAKING SEROTONIN REUPTAKE INHIBITORS Cipla Limited (IN) 2018-01-31 EP disclosed
US-9493409-B2 Process for the synthesis of 1-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine LEK PHARMACEUTICALS D.D. (SI) 2016-11-15 US disclosed
WO-2016151328-A1 METHOD FOR MAKING SEROTONIN REUPTAKE INHIBITORS CIPLA LIMITED (IN) 2016-09-29 WO disclosed
US-20160060215-A1 New Process For The Synthesis Of 1-(2-((2,4-Dimethylphenyl)Thio)Phenyl)Piperazine LEK PHARMACEUTICALS D.D. (SI) 2016-03-03 US disclosed
EP-2981520-A1 NEW PROCESS FOR THE SYNTHESIS OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE LEK Pharmaceuticals d.d. (SI) 2016-02-10 EP disclosed
WO-2015155153-A1 SYNTHESIS OF VORTIOXETINE VIA (2,4-DIMETHYLPHENYL)(2-IODOPHENYL)SULFANE INTERMEDIATE LEK PHARMACEUTICALS D.D. (SI) 2015-10-15 WO disclosed
EP-2930171-A1 Synthesis of vortioxetine via (2,4-dimethylphenyl)(2-iodophenyl)sulfane intermediate LEK Pharmaceuticals d.d. (SI) 2015-10-14 EP disclosed
EP-2894154-A1 Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)aniline intermediates LEK Pharmaceuticals d.d. (SI) 2015-07-15 EP disclosed
WO-2015079018-A1 SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENVL)LITHIUM INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2015-06-04 WO disclosed
EP-2878596-A1 Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)lithium intermediates LEK Pharmaceuticals d.d. (SI) 2015-06-03 EP disclosed
WO-2014191548-A1 NEW PROCESS FOR THE SYNTHESIS OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE LEK PHARMACEUTICALS D.D. (SI) 2014-12-04 WO disclosed
WO-2014161976-A1 NEW PROCESS FOR THE SYNTHESIS OF 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE LEK PHARMACEUTICALS D.D. (SI) 2014-10-09 WO disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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 (4 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN ALDH1A1 649/4885LMNA 715/4885KDM4E 3899/4885
US-20180072690-A1 Methods for Making Serotonin Reuptake Inhibitors SLC6A4, SLC6A2, SLC6A3 ALDH1A1 537/4885LMNA 777/4885KDM4E 1633/4885
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 ALDH1A1 1298/4885LMNA 4200/4885KDM4E 3994/4885
US-20160060215-A1 New Process For The Synthesis Of 1-(2-((2,4-Dimethylphenyl)Thio)Phenyl)Piperazine HTR5A, HTR2A, HTR2C ALDH1A1 300/4885LMNA 4483/4885KDM4E 311/4885

“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.