SCHEMBL6075033

SCHEMBL6075033

COc1ccc(CNC2CCCNC2c2ccccc2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.60
CYP2D6 P10635 3/20 0.59
KCNH2 Q12809 1/20 0.54
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HRH1 P35367 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 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
SCHEMBL8872547 0.82 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8872535 0.82 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8872541 0.82 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938155 0.78 KDM1A (0.58) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938138 0.78 KDM1A (0.58) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938143 0.78 KDM1A (0.58) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL8920204 0.78 TACR1 (0.76) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL7898738 0.77 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL7898733 0.77 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6556178 0.77 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP claimed
US-20040001895-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-01 US claimed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO claimed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US claimed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP claimed
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 2002-04-25 US claimed
EP-1186318-A2 Combination, for treating depression and anxiety, containing a 5HT1d receptor antagonist and aCNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-03-13 EP claimed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO claimed
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
EP-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP disclosed
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2004-03-11 US disclosed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US disclosed
US-20040001895-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-01 US disclosed
US-20020094986-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2002-07-18 US disclosed
EP-1213031-A2 Combination treatment for depression, anxiety and psychosis comprising an antidepressant and/or anxiolytic and a D4 receptor antagonist Pfizer Products Inc. (US) 2002-06-12 EP disclosed
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 2002-04-25 US disclosed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP disclosed
EP-1186318-A2 Combination, for treating depression and anxiety, containing a 5HT1d receptor antagonist and aCNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO 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 (6 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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A TACR1 1/4885CYP2D6 1499/4885KCNH2 182/4885
US-20020094986-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 TACR1 187/4885CYP2D6 471/4885KCNH2 879/4885
US-20040001895-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885CYP2D6 1323/4885KCNH2 158/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A TACR1 5/4885CYP2D6 1204/4885KCNH2 158/4885
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 TACR1 187/4885CYP2D6 471/4885KCNH2 879/4885
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 TACR1 1/4885CYP2D6 2736/4885KCNH2 80/4885

“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.