SCHEMBL5622140

SCHEMBL5622140

CN1CCCC1CCNC(=O)c1cccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.55
PDE4B Q07343 2/20 0.55
ADORA2A P29274 1/20 0.55
TLR9 Q9NR96 2/20 0.53
TLR8 Q9NR97 2/20 0.53
TLR7 Q9NYK1 2/20 0.53
ACKR3 P25106 1/20 0.51
CHRM3 P20309 6/20 0.50
BRAF P15056 1/20 0.49
ADORA2B P29275 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
CCR2 P41597 1/20 0.47
ACP1 P24666 1/20 0.47
APP P05067 1/20 0.47
OPRK1 P41145 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL8162955 0.83 ACKR3 (0.63) TLR9TLR8TLR7ACKR3CHRM3
SCHEMBL14198241 0.82 ACKR3 (0.53) ACKR3CHRM3CCR2DRD2
SCHEMBL14574165 0.81 CHRNB2 (0.63) ADORA1PDE4BADORA2ATLR9TLR8
SCHEMBL13118285 0.80 ACKR3 (0.61) ACKR3CHRM3CHRNB2CHRNA5CHRNA7
SCHEMBL10264922 0.80 ACKR3 (0.52) ADORA1PDE4BADORA2ATLR9TLR8
SCHEMBL10203245 0.79 MEN1 (0.49) ADORA1PDE4BADORA2ATLR9TLR8
SCHEMBL3034950 0.78 BRAF (0.55) TLR9TLR8TLR7ACKR3BRAF
SCHEMBL3613268 0.78 SLC2A1 (0.61) CHRM3CHRNB2ACP1OPRK1CYP3A4
SCHEMBL12513651 0.78 SLC5A7 (0.59) ACKR3OPRK1
SCHEMBL1928910 0.76 ERN1 (0.63) DRD2DRD4

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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ADORA1 2747/4885PDE4B 1052/4885ADORA2A 2157/4885

“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.