SCHEMBL5842999

SCHEMBL5842999

[c]1ccc(N(CC2CC2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.38
FGFR2 P21802 3/20 0.38
FGFR3 P22607 3/20 0.38
KDR P35968 3/20 0.38
FGFR4 P22455 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTC4S Q16873 3/20 0.38
OPRM1 P35372 3/20 0.35
OPRK1 P41145 3/20 0.35
OPRD1 P41143 2/20 0.35
REN P00797 5/20 0.34
CTSD P07339 2/20 0.34
CTSE P14091 2/20 0.34
PGC P20142 2/20 0.34
PTGIR P43119 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL18658375 0.80 OPRM1 (0.52) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL29116510 0.79 OPRM1 (0.46) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL25262182 0.78 FGFR1 (0.41) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL5842151 0.78 ALDH1A1 (0.50) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL28986655 0.77 FGFR1 (0.34) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL2185338 0.76 AR (0.35)
SCHEMBL21016554 0.73 LTC4S (0.51) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL5843057 0.72 MAPT (0.47) ALDH1A1HSD17B10OPRM1DRD3
SCHEMBL25255886 0.71 REN (0.45) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL18421862 0.71 SLC6A2 (0.45) OPRM1OPRK1OPRD1PTGIRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP claimed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO claimed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US disclosed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO 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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R FGFR1 132/4885FGFR2 423/4885FGFR3 258/4885

“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.