SCHEMBL4603244

SCHEMBL4603244

O=C1Cc2cc(CCN3CCN(c4cccc5ccccc45)CC3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 1.00
DRD2 P14416 13/20 1.00
HTR2A P28223 13/20 1.00
ADRA1D P25100 2/20 1.00
ADRA1A P35348 2/20 1.00
ADRA1B P35368 2/20 1.00
DRD1 P21728 3/20 0.65
HTR2C P28335 3/20 0.65
HTR3A P46098 2/20 0.65
SLC6A4 P31645 2/20 0.57
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL7098812 0.99 HTR1A (0.98) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL7408743 0.93 DRD2 (0.86) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL21485177 0.84 DRD2 (1.00) HTR1ADRD2HTR2AADRA1DADRA1A
Hydrochloric Acid SCHEMBL4888762 0.83 HTR1A (0.71) HTR1ADRD2HTR2AADRA1DADRA1A
Hydrochloric Acid SCHEMBL4889007 0.83 HTR1A (0.71) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9312946 0.82 HTR1A (0.73) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL21485167 0.82 HTR1A (1.00) HTR1ADRD2HTR2AADRA1DADRA1A
Hydrochloric Acid SCHEMBL2358961 0.81 HTR1A (0.73) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL14560260 0.79 HTR1A (0.64) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL21485260 0.78 DRD2 (0.94) HTR1ADRD2HTR2AADRA1DADRA1A

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 25 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
EP-1970052-A2 Basic drug compositions with enhanced bioavailability Pfizer Products Inc. (US) 2008-09-17 EP disclosed
EP-1027885-B1 Basic drug compositions with enhanced bioavailability PFIZER PROD INC (US) 2008-07-09 EP disclosed
EP-1757292-A1 Method of treating ocd and tic disorders Pfizer Products Inc. (US) 2007-02-28 EP disclosed
EP-0901789-B1 Method of treating tourette's syndrome PFIZER PROD INC (US) 2007-01-03 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-20050049223-A1 Basic drug compositions with enhanced bioavailability BEND RESEARCH, INC. 2005-03-03 US 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
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-1027885-A2 Basic drug compositions with enhanced bioavailability Pfizer Products Inc. (US) 2000-08-16 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
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 (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 HTR1A 79/4885DRD2 199/4885HTR2A 295/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 HTR1A 50/4885DRD2 130/4885HTR2A 80/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 HTR1A 80/4885DRD2 145/4885HTR2A 179/4885

“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.