SCHEMBL17828170

SCHEMBL17828170

CC1CCN(Cc2ccnc(N(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
HRH3 Q9Y5N1 6/20 0.45
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
CXCR4 P61073 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
LTA4H P09960 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15214354 0.84 ACHE (0.44) ACHEHRH3ALDH1A1RAB9ANPC1
SCHEMBL26619515 0.79 ACHE (0.43) ACHEHRH3ALDH1A1RAB9ANPC1
SCHEMBL17828178 0.75 TRPV6 (0.44) ACHEHRH3ALDH1A1CXCR4DRD2
SCHEMBL17828172 0.74 KCNH2 (0.47) ACHEHRH3ALDH1A1RAB9ANPC1
SCHEMBL17828168 0.73 ACHE (0.53) ACHEHRH3ALDH1A1LTA4H
SCHEMBL30484437 0.73 L3MBTL1 (0.62) ACHEALDH1A1DRD4L3MBTL1
SCHEMBL13456363 0.73 L3MBTL1 (0.62) ACHEALDH1A1DRD4L3MBTL1
SCHEMBL17828179 0.73 ACHE (0.49) ACHEHRH3ALDH1A1RAB9ANPC1
SCHEMBL17828164 0.72 HRH3 (0.55) ACHEHRH3ALDH1A1LTA4H
SCHEMBL29204481 0.72 ACHE (0.58) ACHEHRH3RAB9ANPC1DRD4

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 ACHE 1829/4885HRH3 232/4885ALDH1A1 2519/4885

“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.