SCHEMBL586978

SCHEMBL586978

O=C(C1NCCc2ccccc21)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
PRCP P42785 3/20 0.46
KDM1A O60341 4/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
OPRM1 P35372 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43

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
SCHEMBL4022286 0.82 TSHR (0.75) TSHRNPSR1SLC6A2SLC6A4PRCP
SCHEMBL2303831 0.80 TSHR (0.97) TSHRNPSR1SLC6A2SLC6A4PRCP
SCHEMBL29505877 0.80 TSHR (0.97) TSHRNPSR1SLC6A2SLC6A4PRCP
SCHEMBL1388248 0.80 TSHR (0.73) TSHRNPSR1SLC6A2SLC6A4PRCP
SCHEMBL574702 0.80 TSHR (0.97) TSHRNPSR1SLC6A2SLC6A4PRCP
SCHEMBL29381539 0.80 TSHR (0.97) TSHRNPSR1SLC6A2SLC6A4PRCP
SCHEMBL514422 0.80 TSHR (0.97) TSHRNPSR1SLC6A2SLC6A4PRCP
SCHEMBL29597389 0.80 TSHR (0.97) TSHRNPSR1SLC6A2SLC6A4PRCP
SCHEMBL5181305 0.80 TSHR (0.41) TSHRNPSR1KDM1A
Hydrochloric Acid SCHEMBL5439604 0.79 TSHR (1.00) TSHRNPSR1SLC6A2SLC6A4PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 US disclosed
US-20070219182-A1 Keto Lactam Compounds and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-09-20 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-20070219182-A1 Keto Lactam Compounds and Use Thereof OPRD1, DRD3, OPRK1 TSHR 236/4885NPSR1 105/4885SLC6A2 879/4885

“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.