SCHEMBL17827993

SCHEMBL17827993

COC(=O)C(C)c1cccc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
P2RX7 Q99572 1/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GBA1 P04062 1/20 0.39
MAPT P10636 1/20 0.39
GRM5 P41594 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
FAAH O00519 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
FDPS P14324 1/20 0.38
FDFT1 P37268 1/20 0.38

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
SCHEMBL16545968 0.83 RAB9A (0.43) RAB9AHTTRECQLP2RX7TSHR
SCHEMBL27605894 0.82 RAB9A (0.48) RAB9AHTTRECQLP2RX7TSHR
SCHEMBL24031009 0.81 IRAK4 (0.44) RAB9APTGS1PTGS2RECQLKMT2A
SCHEMBL30753583 0.81 XIAP (0.46) RAB9APTGS1PTGS2KMT2AMEN1
SCHEMBL30489987 0.81 IRAK4 (0.44) RAB9APTGS1PTGS2RECQLKMT2A
SCHEMBL3637140 0.81 RAB9A (0.42) RAB9AHTTRECQLP2RX7TSHR
SCHEMBL18595268 0.81 RAB9A (0.42) RAB9AHTTRECQLP2RX7TSHR
SCHEMBL3743365 0.80 RECQL (0.49) RAB9APTGS1PTGS2HTTRECQL
SCHEMBL25810707 0.80 PTGS1 (0.40) PTGS1PTGS2RECQLTSHRKMT2A
SCHEMBL30489980 0.80 PTGS1 (0.40) PTGS1PTGS2RECQLTSHRKMT2A

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 4 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

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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 RAB9A 757/4885PTGS1 4527/4885PTGS2 4718/4885

“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.