SCHEMBL4520581

SCHEMBL4520581

O=[N+]([O-])c1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.60
DRD4 P21917 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
HTT P42858 2/20 0.56
MAPK1 P28482 2/20 0.55
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
NPBWR1 P48145 1/20 0.54
MCHR1 Q99705 1/20 0.54
LMNA P02545 2/20 0.53
MITF O75030 1/20 0.53
CCR6 P51684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL5562932 0.86 SIGMAR1 (0.58) KMT2APOLBDRD4L3MBTL1HTT
SCHEMBL17599750 0.84 MEN1 (0.51) KMT2AMEN1POLBDRD4L3MBTL1
SCHEMBL1274938 0.84 HTT (0.73) KMT2AMEN1DRD4L3MBTL1GAA
SCHEMBL3482338 0.83 SIGMAR1 (0.72) DRD4HTR1ADRD2DRD3SIGMAR1
SCHEMBL9155290 0.82 HTR1A (0.58) KMT2ADRD4L3MBTL1HTTMAPK1
SCHEMBL10471813 0.81 POLB (0.53) KMT2AMEN1POLBDRD4L3MBTL1
SCHEMBL4628538 0.81 GRM5 (0.56) KMT2APOLBDRD4L3MBTL1HTT
SCHEMBL27749320 0.81 MC4R (0.70) KMT2AMEN1POLBL3MBTL1GAA
SCHEMBL11184187 0.80 ALDH1A1 (0.66) GAADRD2DRD3ALDH1A1MAPT
SCHEMBL23536279 0.79 HTR1A (0.58) KMT2ADRD4L3MBTL1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002421-A1 PROCESS AND NOVEL POLYMORPHIC FORM OF VORTIOXETINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS APICORE US LLC (US) 2019-01-03 US claimed
US-20190002421-A1 PROCESS AND NOVEL POLYMORPHIC FORM OF VORTIOXETINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS APICORE US LLC (US) 2019-01-03 US disclosed
US-20190002421-A1 PROCESS AND NOVEL POLYMORPHIC FORM OF VORTIOXETINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS APICORE US LLC (US) 2019-01-03 US disclosed
WO-2017216805-A1 INTERMEDIATES AND PROCESSES FOR PREPARATION OF VORTIOXETINE LAKSHMI PRASAD ALAPARTHI (IN) 2017-12-21 WO disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed
EP-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 EP disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R KMT2A 1330/4885MEN1 1339/4885POLB 2338/4885
US-20190002421-A1 PROCESS AND NOVEL POLYMORPHIC FORM OF VORTIOXETINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS CHRNA1, ADH1A, CHRNB1 KMT2A 1685/4885MEN1 4389/4885POLB 570/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R KMT2A 1330/4885MEN1 1339/4885POLB 2338/4885

“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.