SCHEMBL3038532

SCHEMBL3038532

O=C(O)C[C@H]1CC(=O)N([C@@H]2CCCC[C@H]2OCc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MT-CO2 P00403 1/20 0.38
ALOX5 P09917 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
CTSF Q9UBX1 1/20 0.38
CASP1 P29466 2/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL3043617 0.80 SLC6A4 (0.47) ALDH1A1
SCHEMBL3043615 0.80 SLC6A4 (0.47) ALDH1A1
SCHEMBL444081 0.80 SLC18A3 (0.41) ELANEPSEN1PSEN2APH1BNCSTN
SCHEMBL444082 0.80 SLC18A3 (0.41) ELANEPSEN1PSEN2APH1BNCSTN
SCHEMBL12296040 0.78 SLC18A3 (0.40) ELANEPSEN1PSEN2APH1BNCSTN
SCHEMBL18334054 0.75 ALDH1A1 (0.43) ELANEALDH1A1MCOLN3MT-CO2ALOX5
SCHEMBL3563705 0.74 MT-CO2 (0.44) ELANEALDH1A1MT-CO2ALOX5TP53
SCHEMBL1028267 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1027406 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3840671 0.72 PSEN1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-08-26 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-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 ELANE 3650/4885PSEN1 4025/4885PSEN2 3838/4885

“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.