SCHEMBL16099731

SCHEMBL16099731

CCc1nnc2n1CCN(C(=O)CCc1cc(OC)ccc1OC)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DPP7 Q9UHL4 1/20 0.44
MC4R P32245 1/20 0.43
P2RX7 Q99572 1/20 0.41
P2RX3 P56373 1/20 0.41
NPC1 O15118 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL16101178 0.78 DPP4 (0.46) MAPTDPP4DPP8MEN1KMT2A
SCHEMBL13504051 0.76 MEN1 (0.59) RAB9AKDM4EALDH1A1MAPTTDP1
SCHEMBL16099817 0.74 KMT2A (0.54) KDM4EALDH1A1MEN1KMT2AMC4R
SCHEMBL13503883 0.73 MEN1 (0.56) RAB9AKDM4EALDH1A1MAPTTDP1
SCHEMBL13504058 0.72 ALDH1A1 (0.56) RAB9AKDM4EALDH1A1MAPTTDP1
SCHEMBL13503950 0.72 KMT2A (0.53) RAB9AKDM4EALDH1A1MAPTTDP1
SCHEMBL16099191 0.72 FKBP1A (0.55) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL16099875 0.71 KDM4E (0.49) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL27479082 0.68 RAB9A (0.53) RAB9AKDM4EALDH1A1MAPTTDP1
SCHEMBL14970364 0.68 P2RX7 (0.51) TDP1DPP4DPP8DPP7P2RX7

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 6 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
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 RAB9A 1680/4885KDM4E 3129/4885ALDH1A1 4063/4885

“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.