SCHEMBL17828142

SCHEMBL17828142

CCc1cncc(N2CCC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP11B2 P19099 11/20 0.38
CYP11B1 P15538 9/20 0.38
CYP19A1 P11511 2/20 0.37
ALOX5 P09917 1/20 0.35
NPC1 O15118 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
SRD5A1 P18405 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL17828138 0.91 CYP11B2 (0.46) CYP11B2ALOX5NPC1TP53PKM
SCHEMBL20153316 0.78 CYP11B2 (0.43) CHRNB2CHRNA4CYP11B2CYP11B1
SCHEMBL16095210 0.75 CYP11B2 (0.49) CYP11B2ALOX5NPC1CCR6
SCHEMBL16872338 0.75 NPC1 (0.47) CHRNB2CHRNA4CYP11B2CYP11B1NPC1
SCHEMBL21282908 0.74 CCR6 (0.45) CYP11B2CYP11B1CYP19A1CCR6
SCHEMBL24415723 0.74 MGLL (0.48) NPC1SRD5A1
SCHEMBL17828135 0.73 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL17828140 0.73 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL19087150 0.70 NOS3 (0.54) CYP11B2
SCHEMBL19703396 0.70 TGFBR1 (0.40) CHRNB2CHRNA4

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 5 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
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

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 CHRNB2 509/4885CHRNA4 454/4885CYP11B2 1570/4885

“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.