SCHEMBL6447781

SCHEMBL6447781

Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
HPGD P15428 1/20 0.73
KDM4E B2RXH2 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
TP53 P04637 2/20 0.69
LMNA P02545 2/20 0.69
TSHR P16473 2/20 0.66
PDE10A Q9Y233 2/20 0.66
MAPT P10636 1/20 0.65
DHODH Q02127 1/20 0.63
TACR3 P29371 5/20 0.62
TACR2 P21452 2/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62

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
SCHEMBL14523182 0.94 LMNA (0.79) ALDH1A1HPGDKDM4EL3MBTL1TP53
SCHEMBL14523178 0.92 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EL3MBTL1TP53
SCHEMBL5496804 0.92 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EL3MBTL1TP53
SCHEMBL6448599 0.88 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EL3MBTL1TP53
SCHEMBL16553849 0.87 LMNA (0.67) ALDH1A1HPGDKDM4EL3MBTL1TP53
SCHEMBL12564406 0.85 DHODH (0.65) ALDH1A1HPGDKDM4EL3MBTL1TP53
SCHEMBL8226622 0.85 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EL3MBTL1TP53
SCHEMBL1582049 0.84 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ETP53LMNA
SCHEMBL15503685 0.82 KDM4E (1.00) ALDH1A1HPGDKDM4EL3MBTL1TP53
SCHEMBL26336654 0.81 TACR3 (0.66) ALDH1A1HPGDKDM4EL3MBTL1TP53

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 14 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
EP-3271015-B1 NK-3 RECEPTOR ANTAGONISTS FOR THERAPEUTIC OR COSMETIC TREATMENT OF EXCESS BODY FAT OGEDA S A (BE) 2023-09-27 EP disclosed
US-7208502-B2 Methods of treating conditions associated with an Edg-3 receptor MANIV ENERGY CAPITAL (US) 2007-04-24 US disclosed
US-7208502-B2 Methods of treating conditions associated with an Edg-3 receptor MANIV ENERGY CAPITAL (US) 2007-04-24 US disclosed
US-20070032459-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-3 RECEPTOR MANIV ENERGY CAPITAL 2007-02-08 US disclosed
US-20070032459-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-3 RECEPTOR MANIV ENERGY CAPITAL 2007-02-08 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-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-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
WO-1996002509-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1996-02-01 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 (2 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 ALDH1A1 1132/4885HPGD 2378/4885KDM4E 2767/4885
US-20070032459-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-3 RECEPTOR EDNRA, EDNRB, ESRRG ALDH1A1 3227/4885HPGD 660/4885KDM4E 3920/4885

“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.