SCHEMBL17828018

SCHEMBL17828018

CCCC(=O)c1cccc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
GRM5 P41594 3/20 0.49
CYP1A2 P05177 2/20 0.46
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B3 P37058 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40

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
SCHEMBL20903934 0.86 P2RX7 (0.54) P2RX7GRM5CYP1A2RAB9ASMN1; SMN2
SCHEMBL30693375 0.85 P2RX7 (0.59) P2RX7GRM5CYP1A2RAB9ACTSA
SCHEMBL5067835 0.85 P2RX7 (0.59) P2RX7GRM5CYP1A2RAB9ACTSA
SCHEMBL5311440 0.84 P2RX7 (0.54) P2RX7GRM5CYP1A2RAB9ACTSA
SCHEMBL17820410 0.81 P2RX7 (0.65) P2RX7GRM5CYP1A2RAB9ASMN1; SMN2
SCHEMBL15979671 0.81 GRM5 (0.57) P2RX7GRM5CYP1A2RAB9AHPGD
SCHEMBL7447448 0.81 P2RX7 (0.51) P2RX7GRM5CYP1A2RAB9AHPGD
SCHEMBL17449370 0.80 HPGD (0.46) P2RX7GRM5CYP1A2HPGDSMN1; SMN2
SCHEMBL17820595 0.80 P2RX7 (0.54) P2RX7GRM5CYP1A2RAB9AHPGD
SCHEMBL30744821 0.79 P2RX7 (0.58) P2RX7GRM5CYP1A2RAB9ACTSA

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 2 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-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 1256/4885CYP1A2 2094/4885

“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.