SCHEMBL6447321

SCHEMBL6447321

O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2cc(O)ccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.81
KDM4E B2RXH2 3/20 0.64
POLB P06746 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 4/20 0.61
LMNA P02545 3/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 2/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
TSHR P16473 1/20 0.58
CYP2C9 P11712 1/20 0.55
CYP3A4 P08684 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC1 Q13547 1/20 0.55
HPGD P15428 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL6450086 0.90 TACR3 (1.00) TACR3KDM4EPOLBMEN1KMT2A
SCHEMBL28307588 0.86 TACR3 (0.61) TACR3KDM4EPOLBMEN1KMT2A
SCHEMBL6450481 0.84 TACR3 (1.00) TACR3MEN1KMT2ATP53CYP3A4
SCHEMBL28806102 0.82 TACR3 (0.83) TACR3KDM4EPOLBMEN1KMT2A
SCHEMBL17831068 0.81 TACR3 (0.69) TACR3KDM4EPOLBMEN1KMT2A
SCHEMBL6335134 0.81 POLB (0.76) KDM4EPOLBMEN1KMT2AALDH1A1
Iodide SCHEMBL4466354 0.79 POLB (0.74) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL8615206 0.79 CYP3A4 (0.52) TACR3KDM4EPOLBMEN1KMT2A
SCHEMBL28844494 0.79 TACR3 (0.88) TACR3KDM4EPOLBMEN1KMT2A
SCHEMBL28806105 0.78 TACR3 (0.76) TACR3KDM4EPOLBMEN1KMT2A

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 9 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-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 (1 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 86/4885KDM4E 2767/4885POLB 3746/4885

“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.