SCHEMBL6252298

SCHEMBL6252298

COc1ccc2c(C)c(C)sc2c1CN[C@H]1CCCN[C@H]1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.59
CYP2D6 P10635 4/20 0.52
KCNH2 Q12809 1/20 0.52
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL6252302 1.00 TACR1 (0.59) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL8796218 0.98 TACR1 (0.57) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL7113838 0.98 TACR1 (0.57) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554828 0.80 TACR1 (0.66) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554835 0.80 TACR1 (0.66) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554842 0.80 TACR1 (0.66) TACR1CYP2D6KCNH2HTR1AHTR2A
Cp-99994 SCHEMBL1282327 0.75 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Cp-99994 SCHEMBL14513344 0.75 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Cp-99994 SCHEMBL3951615 0.75 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Cp-99994 SCHEMBL9295413 0.75 TACR1 (1.00) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369074-B1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2002-04-09 US claimed
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US claimed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP claimed
EP-0675886-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-10-11 EP claimed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO claimed
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-20040220274-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-11-04 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
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO 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
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US disclosed
EP-1099446-A2 Combination treatment for depression and anxiety containing a CNS-penetrant NK-1 receptor antagonist and an antidepressant or anxiolytic agent Pfizer Products Inc. (US) 2001-05-16 EP disclosed
EP-1095655-A2 NK-1 receptor antagonists and eletriptan for the treatment of migraine Pfizer Products Inc. (US) 2001-05-02 EP disclosed
US-5854262-A Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. (US) 1998-12-29 US disclosed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP disclosed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 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 (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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A TACR1 1/4885CYP2D6 1499/4885KCNH2 182/4885
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, OPRL1 TACR1 5/4885CYP2D6 702/4885KCNH2 652/4885
US-20040001895-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885CYP2D6 1323/4885KCNH2 158/4885
US-20040220274-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885CYP2D6 1241/4885KCNH2 222/4885

“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.