SCHEMBL18368147

SCHEMBL18368147

CC(C)N1CCC(NC(=O)CCc2nn[nH]n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
ACKR3 P25106 2/20 0.45
ALDH1A1 P00352 1/20 0.40
PLA2G2C Q5R387 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.37
KDM5A P29375 1/20 0.36
F10 P00742 1/20 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
SCHEMBL18378770 0.86 ENPP2 (0.51) ENPP2ACKR3ALDH1A1PLA2G2CGRIN2D
SCHEMBL15803290 0.78 ACKR3 (0.47) ENPP2ACKR3ALDH1A1HRH3KDM5A
SCHEMBL15803267 0.74 ACKR3 (0.45) ENPP2ACKR3ALDH1A1HRH3
SCHEMBL15803293 0.73 ACKR3 (0.44) ENPP2ACKR3ALDH1A1HRH3
SCHEMBL7090846 0.73 ALDH1A1 (0.59) ACKR3ALDH1A1F10
SCHEMBL18472512 0.72 ACKR3 (0.53) ACKR3ALDH1A1HRH3KDM5AF10
SCHEMBL7088489 0.72 ACKR3 (0.52) ACKR3ALDH1A1HRH3F10
SCHEMBL2168920 0.72 KDM6B (0.62) ENPP2ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL15803472 0.71 ACKR3 (0.47) ACKR3ALDH1A1HRH3KDM5AF10
SCHEMBL15803275 0.71 ACKR3 (0.45) ENPP2ACKR3ALDH1A1HRH3KDM5A

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-20170007614-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2017-01-12 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-20170007614-A1 Autotaxin inhibitors ENPP2, SERPINB1, TFPI ENPP2 1/4885ACKR3 3781/4885ALDH1A1 4843/4885

“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.