SCHEMBL17827870

SCHEMBL17827870

CCCCc1cncc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.50
▸ CHRNA4 P43681 2/20 0.50
▸ PTGS2 P35354 1/20 0.49
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GGPS1 O95749 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CHRNA6 Q15825 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
SCHEMBL21711162 0.95 PTGS2 (0.56) CHRNB2CHRNA4PTGS2CYP11B1CYP11B2
SCHEMBL21230498 0.93 PTGS2 (0.54) CHRNB2CHRNA4PTGS2CYP11B1CYP11B2
SCHEMBL19236843 0.93 PTGS2 (0.54) CHRNB2CHRNA4PTGS2CYP11B1CYP11B2
SCHEMBL20467133 0.93 PTGS2 (0.54) CHRNB2CHRNA4PTGS2CYP11B1CYP11B2
SCHEMBL14109605 0.89 CHRNB2 (0.48) CHRNB2CHRNA4PTGS2CYP11B1CYP11B2
SCHEMBL10807925 0.82 TDP1 (0.50) CHRNB2CHRNA4PTGS2TDP1L3MBTL1
SCHEMBL91481 0.80 CYP11B1 (0.46) CHRNB2CHRNA4PTGS2CYP11B1CYP11B2
SCHEMBL27941735 0.79 TAAR1 (0.55) CYP11B1CYP11B2KCNH2MAOB
SCHEMBL5871310 0.79 CYP11B1 (0.43) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL23912365 0.78 CALM1 (0.47) CYP11B1CYP11B2KCNH2KDM1AMAOA

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 CHRNB2 509/4885CHRNA4 454/4885PTGS2 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.

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