SCHEMBL3306090

SCHEMBL3306090

CN1C(=O)CC(C(F)(F)F)[C@]1(C(N)=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
NR1I2 O75469 1/20 0.34
RORC P51449 1/20 0.34
BACE1 P56817 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
TACR1 P25103 1/20 0.32
OPRL1 P41146 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
MAOB P27338 1/20 0.31
HSD11B1 P28845 1/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
RIPK1 Q13546 1/20 0.31
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL5342046 0.68 MAOB (0.47) MAOBSLC6A4
SCHEMBL3313096 0.67 ALDH1A1 (0.38) ALDH1A1NR1I2RORCBACE1SIGMAR1
SCHEMBL17457987 0.66 ALDH1A1 (0.40) ALDH1A1BACE1SIGMAR1OPRL1
SCHEMBL5899222 0.64 CHRM1 (0.46) OPRL1MAOBHSD11B1
SCHEMBL28505246 0.63 MAOB (0.39) MAOBSLC6A4
SCHEMBL28702458 0.61 MAOB (0.46) MAOBSLC6A4
SCHEMBL6378176 0.60 OPRL1 (0.41) ALDH1A1BACE1OPRL1OPRM1OPRD1
SCHEMBL28685854 0.59 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12397137 0.59 LMNA (0.50) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL28487473 0.58 SLC6A4 (0.46) OPRL1OPRM1SLC6A4

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-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 ALDH1A1 2150/4885NR1I2 199/4885RORC 817/4885

“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.