SCHEMBL4885684

SCHEMBL4885684

O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2N1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.64
HTR7 P34969 2/20 0.64
KCNH2 Q12809 10/20 0.57
HTR2A P28223 9/20 0.57
DRD2 P14416 5/20 0.57
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ABCB11 O95342 1/20 0.54
PGR P06401 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
MAPT P10636 1/20 0.54
CHRM1 P11229 1/20 0.54
GOT1 P17174 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
SLC6A2 P23975 1/20 0.54

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 SCHEMBL7946844 0.99 HTR1A (0.63) HTR1AHTR7KCNH2HTR2ADRD2
Hydrochloric Acid SCHEMBL7412767 0.89 HTR1A (0.62) HTR1AHTR7KCNH2HTR2ADRD2
Hydrochloric Acid SCHEMBL4885489 0.86 HTR1A (0.59) HTR1AHTR7KCNH2HTR2ADRD2
SCHEMBL9752486 0.84 HTR1A (0.63) HTR1AHTR7KCNH2HTR2ADRD2
Hydrochloric Acid SCHEMBL4888338 0.84 HTR1A (0.58) HTR1AHTR7KCNH2HTR2ADRD2
SCHEMBL6404395 0.83 HTR1A (0.64) HTR1AHTR7KCNH2HTR2ADRD2
Hydrochloric Acid SCHEMBL9752511 0.82 HTR1A (0.61) HTR1AHTR7KCNH2HTR2ADRD2
SCHEMBL9371546 0.82 HTR1A (0.61) HTR1AHTR7KCNH2HTR2ADRD2
SCHEMBL4885467 0.81 HTR1A (0.74) HTR1AHTR7KCNH2HTR2ADRD2
SCHEMBL9366195 0.81 HTR1A (0.59) HTR1AHTR7KCNH2HTR2ADRD2

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 12 patents. 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-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
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-20050004138-A1 Anxiety treatments with ziprasidone PFIZER INC 2005-01-06 US disclosed
US-20050004137-A1 Treatment of psychotic and depressive disorders PFIZER INC 2005-01-06 US disclosed
WO-2004100956-A1 METHOD FOR ENHANCING COGNITION USING ZIPRASIDONE PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
WO-2004100954-A1 TREATMENT OF PSYCHOTIC AND DEPRESSIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
WO-2004100955-A1 ANXIETY TREATMENTS WITH ZIPRASIDONE PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
US-6245765-B1 PSYCHOLOGICAL DISORDERS PFIZER INC 2001-06-12 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 (5 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 76/4885HTR7 238/4885KCNH2 1513/4885
US-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH HTR1A 79/4885HTR7 714/4885KCNH2 1329/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 HTR1A 50/4885HTR7 290/4885KCNH2 2811/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 HTR1A 80/4885HTR7 376/4885KCNH2 2492/4885
US-20050004138-A1 Anxiety treatments with ziprasidone NPSR1, AVPR1B, SLC39A3 HTR1A 126/4885HTR7 610/4885KCNH2 1381/4885

“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.