SCHEMBL4892386

SCHEMBL4892386

O=c1[nH]c2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.64
HTR2A P28223 10/20 0.64
DRD2 P14416 9/20 0.64
SLC6A4 P31645 3/20 0.62
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
KCNH2 Q12809 4/20 0.53
HRH3 Q9Y5N1 4/20 0.53
ADRA1A P35348 4/20 0.53
ADRA1B P35368 4/20 0.53
HRH1 P35367 3/20 0.53
HTR7 P34969 3/20 0.47
HTR6 P50406 3/20 0.47
HTR2C P28335 5/20 0.46
DRD1 P21728 3/20 0.46
HTR3A P46098 2/20 0.46

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
Hydrochloric Acid SCHEMBL7100539 0.99 HTR1A (0.63) HTR1AHTR2ADRD2SLC6A4HTR1D
SCHEMBL4892396 0.89 HTR1A (0.56) HTR1AHTR2ADRD2SLC6A4HTR1D
Hydrochloric Acid SCHEMBL7098920 0.88 HTR1A (0.55) HTR1AHTR2ADRD2SLC6A4HTR1D
SCHEMBL4890097 0.85 HTR1A (0.73) HTR1AHTR2ADRD2SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7098770 0.84 HTR1A (0.72) HTR1AHTR2ADRD2SLC6A4SLC6A2
SCHEMBL4891127 0.83 HTR1A (0.65) HTR1AHTR2ADRD2SLC6A4HTR1D
SCHEMBL4890201 0.80 HTR1A (0.65) HTR1AHTR2ADRD2SLC6A4HTR1D
SCHEMBL10986725 0.79 HTR1A (0.67) HTR1AHTR2ADRD2ADRA1AADRA1B
SCHEMBL4892696 0.79 HTR1A (0.64) HTR1AHTR2ADRD2SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7099291 0.79 HTR1A (0.64) HTR1AHTR2ADRD2SLC6A4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP claimed
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER PFIZER INC 2008-10-30 US 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-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-20050004137-A1 Treatment of psychotic and depressive disorders PFIZER INC 2005-01-06 US disclosed
WO-2004100954-A1 TREATMENT OF PSYCHOTIC AND DEPRESSIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
EP-0931547-B1 Piperazinyl-heterocyclic compounds in the treatment of dementia PFIZER PROD INC (US) 2003-01-22 EP disclosed
US-6245766-B1 USING A PIPERAZINE COMPOUND PFIZER INC 2001-06-12 US disclosed
US-6127373-A Method of treating tourette's syndrome and obsessive compulsive disorder PFIZER INC. (US) 2000-10-03 US 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
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
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 (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-20050004137-A1 Treatment of psychotic and depressive disorders SNCA, NLN, INA HTR1A 76/4885HTR2A 232/4885DRD2 355/4885
US-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH HTR1A 79/4885HTR2A 295/4885DRD2 199/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 HTR1A 50/4885HTR2A 80/4885DRD2 130/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 HTR1A 80/4885HTR2A 179/4885DRD2 145/4885

“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.