SCHEMBL17828172

SCHEMBL17828172

Cc1ccnc(CN2CCC(C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
ACHE P22303 4/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CXCR4 P61073 1/20 0.40
MITF O75030 1/20 0.39
MAP3K12 Q12852 1/20 0.39

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
SCHEMBL3257025 0.83 CXCR4 (0.50) KCNH2SCN5ASCN9AHRH3CCR1
SCHEMBL4553877 0.83 CXCR4 (0.50) KCNH2SCN5ASCN9ACCR1CCR5
SCHEMBL17828178 0.82 TRPV6 (0.44) ACHEHRH3ALDH1A1KDM5CKDM4C
SCHEMBL18390905 0.81 CCR1 (0.47) KCNH2SCN5ASCN9ACCR1CCR5
SCHEMBL29204507 0.81 HRH3 (0.50) ACHEHRH3RAB9ANPC1TSHR
SCHEMBL17828180 0.80 ALDH1A1 (0.44) ACHEHRH3ALDH1A1
SCHEMBL20803984 0.79 CXCR4 (0.61) KCNH2SCN5ASCN9AHRH3CCR1
SCHEMBL12241724 0.79 CXCR4 (0.51) HRH3CCR1CCR5CCR8RAB9A
SCHEMBL29204494 0.79 HRH3 (0.51) ACHEHRH3RAB9ANPC1TSHR
SCHEMBL30484431 0.78 HRH3 (0.44) ACHEHRH3RAB9AALDH1A1MITF

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 KCNH2 463/4885SCN5A 709/4885SCN9A 2155/4885

“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.