SCHEMBL14870541

SCHEMBL14870541

C/C=C1\CCN([C@@H](C)c2ccc(F)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
HSD11B1 P28845 10/20 0.46
KCNH2 Q12809 1/20 0.42
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
OPRM1 P35372 1/20 0.34

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
SCHEMBL14870537 0.92 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12891958 0.82 HSD11B1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12891767 0.78 HSD11B1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12891770 0.78 HSD11B1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12891947 0.77 HSD11B1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8023232 0.76 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8021550 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14870539 0.73 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2873080 0.71 HSD11B1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4083045 0.71 HSD11B1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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-20130095068-A1 AGENT FOR TREATING HCV INFECTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-18 US disclosed
US-20130095068-A1 AGENT FOR TREATING HCV INFECTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-18 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-20130095068-A1 AGENT FOR TREATING HCV INFECTION EIF2AK2, IRF3, IFNAR1 PSEN1 4882/4885PSEN2 4883/4885APH1B 4573/4885

“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.