SCHEMBL4885467

SCHEMBL4885467

O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.74
HTR2A P28223 11/20 0.74
DRD2 P14416 8/20 0.74
KCNH2 Q12809 6/20 0.74
HTR7 P34969 3/20 0.74
ADRA1D P25100 2/20 0.74
ADRA1A P35348 2/20 0.74
ADRA1B P35368 2/20 0.74
HTR6 P50406 2/20 0.74
HTR3E A5X5Y0 1/20 0.74
HTR3B O95264 1/20 0.74
ABCB11 O95342 1/20 0.74
PGR P06401 1/20 0.74
CHRM2 P08172 1/20 0.74
ADRA2A P08913 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
MAPT P10636 1/20 0.74
CHRM1 P11229 1/20 0.74
GOT1 P17174 1/20 0.74
ADRA2B P18089 1/20 0.74

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 SCHEMBL7099059 0.99 KCNH2 (0.73) HTR1AHTR2ADRD2KCNH2HTR7
Water SCHEMBL7416199 0.93 KCNH2 (0.67) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL9367026 0.91 HTR2A (0.69) HTR1AHTR2ADRD2KCNH2HTR7
Hydrochloric Acid SCHEMBL9367191 0.90 HTR2A (0.67) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL9366288 0.90 HTR1A (0.62) HTR1AHTR2ADRD2KCNH2HTR7
Hydrochloric Acid SCHEMBL9367186 0.90 HTR2A (0.67) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL13285208 0.85 HTR2A (0.80) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL9367637 0.85 HTR1A (0.60) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL7942300 0.85 HTR2A (0.93) HTR1AHTR2ADRD2KCNH2HTR7
Ziprasidone SCHEMBL4774002 0.85 HTR2A (1.00) HTR1AHTR2ADRD2KCNH2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
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
EP-0901789-B1 Method of treating tourette's syndrome PFIZER PROD INC (US) 2007-01-03 EP disclosed
EP-1633361-A1 ANXIETY TREATMENTS WITH ZIPRASIDONE Pfizer Products Inc. (US) 2006-03-15 EP 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-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY HOWARD HARRY R (US) 2002-01-10 US 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-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
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-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH HTR1A 79/4885HTR2A 295/4885DRD2 199/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR1A 7/4885HTR2A 5/4885DRD2 242/4885
US-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY ALDH1A2, NDUFB7, PTGS1 HTR1A 1024/4885HTR2A 2202/4885DRD2 3644/4885
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.