SCHEMBL17827871

SCHEMBL17827871

Cc1cccc(C(=O)CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
BCHE P06276 1/20 0.43
GRM5 P41594 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
KDM4A O75164 1/20 0.40
EPHX2 P34913 1/20 0.40
NQO2 P16083 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
RAB9A P51151 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
LCK P06239 1/20 0.37
PCSK9 Q8NBP7 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
SCHEMBL20524440 0.85 P2RX7 (0.53) P2RX7GRM5RAB9AMEN1NPC1
SCHEMBL17820681 0.81 P2RX7 (0.57) P2RX7GRM5RAB9AMEN1NPC1
SCHEMBL6112123 0.79 P2RX7 (0.56) P2RX7GRM5RAB9ANPC1KMT2A
SCHEMBL16215497 0.79 ALDH1A1 (0.44) BCHEACACBACACAKDM4ACKS1B
SCHEMBL29873554 0.79 ALDH1A1 (0.44) BCHEACACBACACAKDM4ACKS1B
SCHEMBL24927890 0.78 P2RX7 (0.45) P2RX7BCHEKDM4AEPHX2CKS1B
SCHEMBL29979806 0.78 P2RX7 (0.45) P2RX7BCHEKDM4AEPHX2CKS1B
SCHEMBL30609719 0.77 P2RX7 (0.46) P2RX7GRM5RAB9AMEN1KMT2A
SCHEMBL17884869 0.77 P2RX7 (0.46) P2RX7GRM5RAB9AMEN1KMT2A
SCHEMBL112919 0.77 NPSR1 (0.49) BCHEKDM4ANQO2RAB9AMEN1

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-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 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 (2 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 P2RX7 2219/4885BCHE 3410/4885GRM5 1256/4885
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 P2RX7 1/4885BCHE 2498/4885GRM5 252/4885

“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.