SCHEMBL5636697

SCHEMBL5636697

CC[C@H](NC(=O)c1c(CN2CCC(O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.81
TACR2 P21452 9/20 0.81
OPRM1 P35372 5/20 0.80
TRPV4 Q9HBA0 3/20 0.66

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
SCHEMBL5636703 1.00 TACR3 (0.81) TACR3TACR2OPRM1TRPV4
SCHEMBL5635546 0.95 TACR3 (0.76) TACR3TACR2OPRM1TRPV4
SCHEMBL8116231 0.95 TACR3 (0.76) TACR3TACR2OPRM1TRPV4
SCHEMBL6228533 0.89 TACR3 (0.84) TACR3TACR2OPRM1
SCHEMBL5636316 0.89 TACR3 (0.84) TACR3TACR2OPRM1
SCHEMBL6228536 0.89 TACR3 (0.84) TACR3TACR2OPRM1
SCHEMBL5636312 0.89 TACR3 (0.84) TACR3TACR2OPRM1
SCHEMBL5636960 0.88 TACR3 (1.00) TACR3TACR2OPRM1
SCHEMBL7692817 0.88 TACR3 (0.83) TACR3TACR2OPRM1
SCHEMBL5635855 0.88 TACR3 (0.83) TACR3TACR2OPRM1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP claimed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US claimed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
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 claimed
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM SPA, ITALY 2007-08-23 US disclosed
US-20060205735-A1 Quinoline-4-carboxamide as NK-2 and NK-3 receptor antagonists MARIA GLARDINA GIUSEPPE A 2006-09-14 US disclosed
US-20050159428-A1 Quinoline-4-carboxamide derivatives asNK-2 and NK-3 receptor antagonists SMITHKLINE BEECHAM SPA, ITALY 2005-07-21 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
US-20040116469-A1 Quinoline-4-carboxamide derivatives as NK-2 and NK-3 receptor antagonists SMITHKLINE BEECHAM SPA 2004-06-17 US disclosed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 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
EP-0983262-B1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2003-07-09 EP disclosed
US-20030004183-A1 Quinoline-4-carboxamide derivatives as NK-2 and NK-3 receptor antagonists GIARDINA GIUSEPPE ARNALDO MARI (IT) 2003-01-02 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
US-20010012846-A1 Quinoline-4-carboxamide derivatives as NK-2 and NK-3 receptor antagonists GLARDINA GIUSEPPE ARNALDO MARI (IT) 2001-08-09 US disclosed
CN-1264378-A Quinoline-4-carboxamide derivatives as NK-2 and NK-3 receptor antagonists SMITHKLINE BEECHAM SPA (IT) 2000-08-23 CN 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 TACR3 86/4885TACR2 7/4885OPRM1 81/4885
US-20030004183-A1 Quinoline-4-carboxamide derivatives as NK-2 and NK-3 receptor antagonists KCNH2, KCNH3, KCNA6 TACR3 130/4885TACR2 34/4885OPRM1 67/4885
US-20060205735-A1 Quinoline-4-carboxamide as NK-2 and NK-3 receptor antagonists KCNJ2, KCNH2, KCNH3 TACR3 25/4885TACR2 10/4885OPRM1 301/4885
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS KCNH2, KCNH3, KCNJ2 TACR3 27/4885TACR2 8/4885OPRM1 259/4885
US-20010012846-A1 Quinoline-4-carboxamide derivatives as NK-2 and NK-3 receptor antagonists KCNH2, KCNH3, KCNA6 TACR3 137/4885TACR2 36/4885OPRM1 64/4885
US-20050159428-A1 Quinoline-4-carboxamide derivatives asNK-2 and NK-3 receptor antagonists KCNK3, KCNJ2, KCNK2 TACR3 10/4885TACR2 4/4885OPRM1 142/4885

“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.