SCHEMBL17828140

SCHEMBL17828140

CCc1cncc(N2CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.44
CHRNA4 P43681 9/20 0.44
CHRNA1 P02708 1/20 0.41
CHRNA7 P36544 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41

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
SCHEMBL17828135 0.96 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA1CHRNA7NOS3
SCHEMBL5657086 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL19087150 0.86 NOS3 (0.54) NOS3NOS1
SCHEMBL14642794 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL19116555 0.84 NOS3 (0.55) CHRNB2CHRNA4NOS3NOS1
SCHEMBL19703396 0.82 TGFBR1 (0.40) CHRNB2CHRNA4CHRNA1CHRNA7NOS3
SCHEMBL31421453 0.81 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA1CHRNA7NOS3
SCHEMBL17820032 0.78 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL30637199 0.76 KDM4E (0.51) CHRNB2CHRNA4
SCHEMBL26106485 0.76 KDM4E (0.51) 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 454/4885CHRNA1 219/4885

“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.