SCHEMBL4884404

SCHEMBL4884404

O=c1[nH]c2ccc(CCBr)cc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.53
IL4I1 Q96RQ9 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
OGT O15294 1/20 0.46
CREBBP Q92793 1/20 0.44
KMO O15229 1/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL10392913 0.90 NOS1 (0.50) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL8786452 0.89 NOS1 (0.49) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5545754 0.83 NOS1 (0.53) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL6023537 0.83 NOS1 (0.53) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL17268194 0.82 IL4I1 (0.56) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5535563 0.81 NOS1 (0.50) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL4675522 0.81 KDM4E (0.52) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5536087 0.80 NOS1 (0.49) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL6331311 0.80 KDM4E (0.51) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL4891443 0.80 KDM4E (0.51) NOS1IL4I1KDM4EALDH1A1PDE3B

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 32 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
EP-0110781-B1 SUBSTITUTED (AMINO-2-ETHYL)-6-BENZOXAZOLINONES, THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM RIOM LABORATOIRES- C.E.R.M. (Société Anonyme) (FR) 1987-04-01 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-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
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
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
US-4558060-A HYPNOTIC PROPERTIES; ANTI-HEART FAILURE MEDICINE RIOM LABORATORIES - CERM S.A. (FR) 1985-12-10 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-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH NOS1 4050/4885IL4I1 811/4885KDM4E 2567/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 NOS1 2976/4885IL4I1 2998/4885KDM4E 2287/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 NOS1 3450/4885IL4I1 2846/4885KDM4E 1821/4885

“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.