SCHEMBL17819482

SCHEMBL17819482

C=CC(=O)c1cccc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.53
GRM5 P41594 2/20 0.50
RAB9A P51151 1/20 0.43
AKT1 P31749 1/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
HKDC1 Q2TB90 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 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
SCHEMBL21126658 0.82 P2RX7 (0.55) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL18595247 0.79 P2RX7 (0.51) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL11383075 0.79 P2RX7 (0.51) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL23030684 0.78 P2RX7 (0.46) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL2237588 0.77 P2RX7 (0.62) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL1958309 0.77 P2RX7 (0.62) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL15561274 0.77 AKT1 (0.41) GRM5AKT1KDM4EALOX15TDP1
SCHEMBL23598449 0.77 ALDH1A1 (0.45) GRM5AKT1CYP1A2KDM4EALOX15
SCHEMBL31546698 0.77 CTSA (0.40) AKT1CYP1A2KDM4EALOX15TDP1
SCHEMBL9937722 0.75 P2RX7 (0.60) P2RX7GRM5RAB9ACCR1CCR8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023193760-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2023-10-12 WO disclosed
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
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-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP 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-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 P2RX7 2219/4885GRM5 1256/4885RAB9A 757/4885

“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.