SCHEMBL20733170

SCHEMBL20733170

CCCCCCCCN1C(=O)NCC1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.45
GAA P10253 2/20 0.40
ABL1 P00519 2/20 0.40
RIN1 Q13671 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX5 P09917 2/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MGLL Q99685 3/20 0.39
FAAH O00519 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NAAA Q02083 3/20 0.36

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
SCHEMBL6289681 0.88 GBA1 (0.36) GBA1GAAABL1RIN1TDP1
SCHEMBL6289582 0.85 GAA (0.36) GBA1GAAABL1RIN1TDP1
SCHEMBL14749807 0.85 PER2 (0.37) GAAABL1RIN1TDP1TP53
SCHEMBL9803351 0.85 PER2 (0.37) GAAABL1RIN1TDP1TP53
SCHEMBL6284301 0.84 PER2 (0.36) GBA1MAPT
SCHEMBL6289660 0.83 GAA (0.36) GBA1GAAABL1RIN1TDP1
SCHEMBL6287251 0.82 CYP2C19 (0.34) GBA1
SCHEMBL6287627 0.82 PER2 (0.36) GBA1GAAABL1RIN1TDP1
SCHEMBL6284536 0.81 ACHE (0.32) SIGMAR1
SCHEMBL20733168 0.81 GBA1 (0.44) GBA1GAAABL1RIN1TDP1

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-20200361910-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-11-19 US disclosed
WO-2019030197-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-02-14 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-20200361910-A1 PROCESS TO PREPARE PROPYLENE AMINES AND PROPYLENE AMINE DERIVATIVES HRH3, HRH4, HRH1 GBA1 4083/4885GAA 4803/4885ABL1 2398/4885

“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.