SCHEMBL6702396

SCHEMBL6702396

CC(C)Oc1cc2c(cc1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.62
CYP2D6 P10635 2/20 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
SCHEMBL6230283 1.00 TACR1 (0.62) TACR1CYP2D6
Hydrochloric Acid SCHEMBL6607533 0.99 TACR1 (0.61) TACR1CYP2D6
SCHEMBL6074291 0.97 TACR1 (0.62) TACR1CYP2D6
Hydrochloric Acid SCHEMBL6074552 0.96 TACR1 (0.61) TACR1CYP2D6
Hydrochloric Acid SCHEMBL6074558 0.96 TACR1 (0.61) TACR1CYP2D6
Hydrochloric Acid SCHEMBL7597131 0.92 TACR1 (0.61) TACR1CYP2D6
Hydrochloric Acid SCHEMBL6605543 0.92 TACR1 (0.61) TACR1CYP2D6
SCHEMBL6073522 0.91 TACR1 (0.61) TACR1CYP2D6
SCHEMBL6073720 0.91 TACR1 (0.61) TACR1CYP2D6
SCHEMBL7118326 0.91 TACR1 (0.61) TACR1CYP2D6

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-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
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
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

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 1499/4885
US-20040001895-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885CYP2D6 1323/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A TACR1 5/4885CYP2D6 1204/4885
US-20040220274-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885CYP2D6 1241/4885

“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.