SCHEMBL16099191

SCHEMBL16099191

COc1ccc(CCC(=O)N2CCn3c(C)nnc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.55
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 1/20 0.52
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
F2RL1 P55085 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL16099875 0.87 KDM4E (0.49) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL17509130 0.81 NAAA (0.47) KDM4ELMNAHTTMAPT
SCHEMBL16099817 0.80 KMT2A (0.54) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL16099846 0.76 HTT (0.56) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL16102593 0.76 P2RX7 (0.46) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL10305162 0.75 FKBP1A (0.76) FKBP1AALDH1A1KMT2ATSHRME2
SCHEMBL16099508 0.74 DPP4 (0.57)
SCHEMBL16100222 0.74 HTT (0.47) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL14218027 0.73 FKBP1A (0.69) FKBP1AALDH1A1KMT2ATSHRME2
SCHEMBL16099731 0.72 RAB9A (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT

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 FKBP1A 4303/4885ALDH1A1 4063/4885KMT2A 2542/4885

“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.