SCHEMBL7117397

SCHEMBL7117397

Cc1[nH]c(C=O)c(C)c1CC(=O)N1CCC[C@H]1CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.43
OPRD1 P41143 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL7117403 1.00 OPRK1 (0.43) OPRK1OPRD1NPC1CYP1A2CYP3A4
SCHEMBL7117886 0.89 TDP1 (0.40) OPRK1OPRD1NPC1CYP1A2CYP3A4
SCHEMBL7117882 0.89 TDP1 (0.40) OPRK1OPRD1NPC1CYP1A2CYP3A4
SCHEMBL7125726 0.83 MET (0.49) TDP1BLM
SCHEMBL7125733 0.83 MET (0.49) TDP1BLM
SCHEMBL7128957 0.73 ALDH1A1 (0.34) NPC1
SCHEMBL6092642 0.71 ALOX15 (0.42)
SCHEMBL7125898 0.70 ALDH1A1 (0.43) TDP1
SCHEMBL6091353 0.70 ALOX15 (0.45)
SCHEMBL7126930 0.70 LMNA (0.40) CYP1A2TDP1

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-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 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-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 OPRK1 680/4885OPRD1 2699/4885NPC1 4407/4885

“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.