SCHEMBL6450481

SCHEMBL6450481

COc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 8/20 1.00
HDAC1 Q13547 1/20 0.70
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CYP3A4 P08684 1/20 0.63
UBE2I P63279 1/20 0.63
CACNA1B Q00975 1/20 0.63
APBA1 Q02410 1/20 0.63
SAE1 Q9UBE0 1/20 0.63
UBA2 Q9UBT2 1/20 0.63
TP53 P04637 3/20 0.62
RXFP1 Q9HBX9 1/20 0.62
MAPT P10636 5/20 0.61

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
SCHEMBL28844494 0.94 TACR3 (0.88) TACR3HDAC1MEN1KMT2ACYP3A4
SCHEMBL6451612 0.90 TACR3 (0.81) TACR3HDAC1MEN1KMT2ACYP3A4
SCHEMBL6448559 0.89 TACR3 (1.00) TACR3KMT2AUBE2ICACNA1BAPBA1
SCHEMBL6449778 0.88 TACR3 (0.79) TACR3HDAC1MEN1KMT2ACYP3A4
SCHEMBL6447675 0.88 TACR3 (0.78) TACR3HDAC1MEN1KMT2AUBE2I
SCHEMBL28844474 0.88 TACR3 (0.79) TACR3MEN1KMT2ACYP3A4TP53
SCHEMBL28953312 0.87 TACR3 (0.76) TACR3HDAC1MEN1KMT2ACYP3A4
SCHEMBL6450710 0.87 TACR3 (0.76) TACR3HDAC1MEN1KMT2ATP53
SCHEMBL6450086 0.86 TACR3 (1.00) TACR3HDAC1MEN1KMT2ACYP3A4
SCHEMBL28844472 0.84 TACR3 (0.77) TACR3MEN1KMT2ACYP3A4TP53

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
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

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 86/4885HDAC1 1286/4885MEN1 2556/4885

“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.