SCHEMBL4884479

SCHEMBL4884479

Oc1cc(N2CCNCC2)c2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.67
HTR2C P28335 1/20 0.67
SLC6A4 P31645 1/20 0.67
KDM4E B2RXH2 3/20 0.49
HTR5A P47898 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
HTR6 P50406 3/20 0.45
HTR7 P34969 3/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 1/20 0.45
MAPT P10636 1/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PLD1 Q13393 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
NCF1 P14598 1/20 0.42

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
SCHEMBL3561450 0.84 SLC6A4 (0.68) HTR2AHTR2CSLC6A4KDM4EHTR6
SCHEMBL4143098 0.83 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL6636331 0.83 HTR2A (0.67) HTR2AHTR2CSLC6A4KDM4EHTR5A
SCHEMBL3557055 0.83 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL1045944 0.80 HTR2A (1.00) HTR2AHTR2CSLC6A4KDM4EHTR5A
SCHEMBL3555203 0.80 HTR2A (0.62) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL6637239 0.80 HTR2A (0.62) HTR2AHTR2CSLC6A4KDM4EHTR6
SCHEMBL4140105 0.80 HTR2A (0.62) HTR2AHTR2CSLC6A4HTR6HTR7
Methyl Alcohol SCHEMBL27731985 0.79 HTR2A (0.91) HTR2AHTR2CSLC6A4KDM4EHTR5A
Hydrochloric Acid SCHEMBL1048620 0.79 HTR2A (0.97) HTR2AHTR2CSLC6A4KDM4EHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER PFIZER INC 2008-10-30 US disclosed
WO-2007146072-A2 PROCESS FOR SYNTHESIZING PIPERAZINE-PIPERIDINE COMPOUNDS WYETH (US) 2007-12-21 WO disclosed
EP-1757292-A1 Method of treating ocd and tic disorders Pfizer Products Inc. (US) 2007-02-28 EP disclosed
CN-1780626-A Treatment of bipolar disorder and related symptoms PFIZER (US) 2006-05-31 CN disclosed
EP-1633360-A1 TREATMENT OF PSYCHOTIC AND DEPRESSIVE DISORDERS Pfizer Products Incorporated (US) 2006-03-15 EP disclosed
EP-1633361-A1 ANXIETY TREATMENTS WITH ZIPRASIDONE Pfizer Products Inc. (US) 2006-03-15 EP disclosed
EP-1626722-A1 METHOD FOR ENHANCING COGNITION USING ZIPRASIDONE Pfizer Products Inc. (US) 2006-02-22 EP disclosed
EP-1626723-A1 TREATMENT OF BIPOLAR DISORDERS AND ASSOCIATED SYMPTOMS Pfizer Products Inc. (US) 2006-02-22 EP disclosed
US-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles PFIZER INC 2005-02-17 US disclosed
US-20050014764-A1 Method for enhancing cognition using ziprasidone PFIZER INC 2005-01-20 US disclosed
US-6127373-A Method of treating tourette's syndrome and obsessive compulsive disorder PFIZER INC. (US) 2000-10-03 US disclosed
EP-0985414-A2 Method of treating glaucoma and ischemic retinopathy Pfizer Products Inc. (US) 2000-03-15 EP disclosed
EP-0931547-A1 Piperazinyl-heterocyclic compounds in the treatment of psychiatric conditions Pfizer Products Inc. (US) 1999-07-28 EP disclosed
EP-0901789-A1 Method of treating tourette's syndrome Pfizer Products Inc. (US) 1999-03-17 EP disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
CN-1015057-B process for preparation of piperazinyl-heterocyclic compounds PFIZER (US) 1991-12-11 CN disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 US disclosed
CN-88101642-A Piperazinyl-heterogeneous ring compound 1988-09-14 CN disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 EP 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-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH HTR2A 295/4885HTR2C 475/4885SLC6A4 48/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 HTR2A 80/4885HTR2C 417/4885SLC6A4 74/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 HTR2A 179/4885HTR2C 518/4885SLC6A4 235/4885

“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.