SCHEMBL13778792

SCHEMBL13778792

CN(O)C(=O)c1cc2c(C(=O)NC(CC(=O)NC3CC3)C3CC3)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
CNR2 P34972 5/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 3/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
FSCN1 Q16658 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2B Q13224 2/20 0.36

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
SCHEMBL13778798 0.89 RXFP1 (0.39) CNR1CNR2BRD4MAPTPRNP
SCHEMBL13778788 0.89 CNR1 (0.39) CNR1CNR2BRD4RXFP1FSCN1
SCHEMBL4160989 0.82 MEN1 (0.41) CNR1CNR2MAPTPRNPFSCN1
SCHEMBL1684180 0.78 MEN1 (0.40) MAPTPRNPFSCN1POLBMEN1
SCHEMBL4170043 0.75 CHRM1 (0.50) RXFP1POLB
SCHEMBL13778809 0.73 CNR2 (0.48) CNR2
SCHEMBL13778787 0.73 FSCN1 (0.39) MAPTPRNPFSCN1MEN1KMT2A
SCHEMBL4165466 0.72 PDE4A (0.38) MAPTPRNPPOLBMEN1KMT2A
SCHEMBL5520368 0.72 CACNB4 (0.46) MAPTRXFP1
SCHEMBL4798568 0.72 THRB (0.39) MAPTPRNPPOLBGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP CNR1 4750/4885CNR2 4856/4885BRD4 1328/4885

“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.