SCHEMBL17509130

SCHEMBL17509130

Cc1ccc(CCCCC(=O)N2CCn3c(C)nnc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
P2RX7 Q99572 1/20 0.41
NOTUM Q6P988 1/20 0.41
TACR3 P29371 2/20 0.40
AR P10275 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 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
SCHEMBL16099191 0.81 FKBP1A (0.55) LMNAMAPTHTTKDM4E
SCHEMBL16099508 0.77 DPP4 (0.57) DPP4DPP8
SCHEMBL10213631 0.75 TACR3 (0.65) P2RX7TACR3
SCHEMBL13245865 0.74 NOTUM (0.47) P2RX7NOTUMTACR3DRD2DRD3
SCHEMBL16099875 0.73 KDM4E (0.49) P2RX7KDM4E
SCHEMBL9557181 0.72 CYP1A2 (0.65) NAAALMNAMAPTHTTKDM4E
SCHEMBL16099817 0.72 KMT2A (0.54) P2RX7LMNAKDM4E
SCHEMBL16099846 0.70 HTT (0.56) LMNAHTTKDM4E
SCHEMBL9556998 0.70 NAAA (0.53) NAAADPP4
SCHEMBL17509126 0.70 DPP4 (0.59) DPP4DPP8

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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 US claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 NAAA 903/4885P2RX7 464/4885NOTUM 4172/4885

“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.