SCHEMBL4918756

SCHEMBL4918756

CCC(CC)Oc1cccc(NC(=O)c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 13/20 0.46
PLAU P00749 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL4919177 0.93 RXFP1 (0.46) RXFP1MAPTKDM4ETHRBABL1
SCHEMBL4919133 0.90 ROCK1 (0.46) MAPTTHRBKITKDR
SCHEMBL4915789 0.89 DHODH (0.45) RXFP1MAPTKDM4ETHRBABL1
SCHEMBL4912855 0.88 RXFP1 (0.43) RXFP1MAPTKDM4ETHRBABL1
SCHEMBL4911762 0.82 RXFP1 (0.44) RXFP1MAPTKDM4ETHRB
SCHEMBL3635323 0.81 MAPT (0.40) MAPTF10
SCHEMBL4920219 0.81 PLAU (0.46) PLAUMAPTKDM4ETHRB
SCHEMBL4919041 0.76 CASR (0.39) KDM4E
SCHEMBL4917855 0.75 FRK (0.51) THRBKDR
SCHEMBL4919317 0.75 MEN1 (0.54) RXFP1KDR

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-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 RXFP1 1103/4885PLAU 4453/4885MAPT 572/4885

“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.