SCHEMBL17828178

SCHEMBL17828178

CC1CCN(Cc2cc(C3CC3)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.44
ACHE P22303 5/20 0.44
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 1/20 0.41
LNPEP Q9UIQ6 1/20 0.39
HTR7 P34969 3/20 0.39
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CXCR4 P61073 1/20 0.38
LTA4H P09960 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL17828172 0.82 KCNH2 (0.47) ACHEHRH3ALDH1A1KDM5CKDM4C
SCHEMBL29204507 0.78 HRH3 (0.50) ACHEHRH3ALDH1A1KDM5CKDM4C
SCHEMBL17828180 0.77 ALDH1A1 (0.44) ACHEHRH3ALDH1A1
SCHEMBL15214354 0.77 ACHE (0.44) TRPV6ACHEHRH3ALDH1A1L3MBTL1
SCHEMBL29204494 0.76 HRH3 (0.51) ACHEHRH3ALDH1A1HTR7L3MBTL1
SCHEMBL30484437 0.75 L3MBTL1 (0.62) TRPV6ACHEALDH1A1L3MBTL1DRD4
SCHEMBL13456363 0.75 L3MBTL1 (0.62) TRPV6ACHEALDH1A1L3MBTL1DRD4
SCHEMBL17828170 0.75 ACHE (0.46) ACHEHRH3ALDH1A1L3MBTL1CXCR4
SCHEMBL17827950 0.74 LNPEP (0.45) LNPEPTLR9TLR8TLR7
SCHEMBL30484431 0.73 HRH3 (0.44) ACHEHRH3ALDH1A1

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 TRPV6 2521/4885ACHE 1829/4885HRH3 232/4885

“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.