SCHEMBL6694847

SCHEMBL6694847

COc1ccc(C(C)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 1.00
CYP2D6 P10635 5/20 1.00
KCNH2 Q12809 1/20 0.74
HTR1A P08908 1/20 0.73
HTR2A P28223 1/20 0.73
HTR2C P28335 1/20 0.73
HRH1 P35367 1/20 0.73
HTR2B P41595 1/20 0.73
SLC6A3 Q01959 1/20 0.73
TMEM97 Q5BJF2 1/20 0.73
SIGMAR1 Q99720 1/20 0.73

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
SCHEMBL8708092 1.00 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8710135 1.00 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL7132071 0.99 TACR1 (0.98) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6227743 0.92 CYP2D6 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8712839 0.92 CYP2D6 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6226003 0.92 CYP2D6 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL7136636 0.91 CYP2D6 (0.98) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6556766 0.89 TACR1 (0.81) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL8539643 0.89 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554762 0.87 TACR1 (0.77) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329396-B1 TREATMENT OF GASTROINTESTINAL DISORDERS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS; INFLAMMATORY DISEASE; EMESIS; URINARY INCONTINENCE; PAIN; MIGRAINE; SUNBURN; DISEASES, DISORDERS AND ADVERSE CONDITIONS CAUSED BY HELIOBACTER PYLORI; OR PFIZER INC. 2001-12-11 US claimed
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-6506775-B1 Treatment of a gastrointestinal disorder; a central nervous system (CNS) adverse conditions caused by Heliobacter pylori; or angiogenesis especially CNS disorders in a mammalian subject, especially humans. PFIZER INC 2003-01-14 US 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
US-6329396-B1 TREATMENT OF GASTROINTESTINAL DISORDERS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS; INFLAMMATORY DISEASE; EMESIS; URINARY INCONTINENCE; PAIN; MIGRAINE; SUNBURN; DISEASES, DISORDERS AND ADVERSE CONDITIONS CAUSED BY HELIOBACTER PYLORI; OR PFIZER INC. 2001-12-11 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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A TACR1 1/4885CYP2D6 1499/4885KCNH2 182/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A TACR1 5/4885CYP2D6 1204/4885KCNH2 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.