SCHEMBL1979905

SCHEMBL1979905

CCCNn1c(C)c(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c(C)c(Br)c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.43
CNR1 P21554 1/20 0.38
SLC6A9 P48067 1/20 0.37
KCNA3 P22001 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MCHR1 Q99705 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL1978497 0.89 KCNA3 (0.43) P2RX7CNR1SLC6A9KCNA3SLC6A2
SCHEMBL10150652 0.82 THRB (0.50)
SCHEMBL2013388 0.80 THRB (0.39)
SCHEMBL1975060 0.76 PPARG (0.40)
SCHEMBL10150960 0.75 PDE10A (0.42) P2RX7
SCHEMBL10150603 0.74 CNR1 (0.44) CNR1
SCHEMBL2015522 0.73 BCL2 (0.42)
SCHEMBL2010877 0.71 L3MBTL1 (0.48)
SCHEMBL1979648 0.71 HCAR2 (0.31)
SCHEMBL10150590 0.69 PDE10A (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 P2RX7 376/4885CNR1 367/4885SLC6A9 2558/4885

“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.