SCHEMBL13469007

SCHEMBL13469007

NC(=O)CNCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.67
SPHK2 Q9NRA0 1/20 0.60
SPHK1 Q9NYA1 1/20 0.60
S1PR1 P21453 4/20 0.57
S1PR3 Q99500 2/20 0.57
LTA4H P09960 1/20 0.57
EPHX2 P34913 1/20 0.57
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
S1PR5 Q9H228 1/20 0.55
PARP10 Q53GL7 1/20 0.54
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL68789 0.92 BCHE (0.65) BCHESPHK2SPHK1FFAR1FFAR4
SCHEMBL4948686 0.86 SIGMAR1 (0.62) EPHX2NPC1RAB9ASIGMAR1
SCHEMBL7391510 0.83 SPHK2 (0.82) BCHESPHK2SPHK1PARP10
SCHEMBL15890912 0.83 S1PR1 (0.82) BCHES1PR1S1PR3LTA4HEPHX2
SCHEMBL4953206 0.81 SIGMAR1 (0.61) S1PR1S1PR3SIGMAR1
SCHEMBL11476550 0.80 BCHE (1.00) BCHELTA4HEPHX2SIGMAR1
SCHEMBL950170 0.80 S1PR1 (0.82) BCHES1PR1S1PR3LTA4HFFAR1
SCHEMBL11435183 0.79 SMN1; SMN2 (0.53) SMN1; SMN2
SCHEMBL14564669 0.79 S1PR1 (0.81) S1PR1S1PR3LTA4HFFAR1S1PR5
SCHEMBL8343327 0.79 BCHE (0.70) BCHELTA4HEPHX2FFAR1FFAR4

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-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. 2012-10-18 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-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE CBR1, CNR1, CBR3 BCHE 601/4885SPHK2 2041/4885SPHK1 1636/4885

“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.