SCHEMBL17828175

SCHEMBL17828175

Cc1ccc(CN2CCC(C)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ACHE P22303 6/20 0.47
HRH3 Q9Y5N1 4/20 0.47
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 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
SCHEMBL12426 0.87 KCNH2 (0.46) HRH3KCNH2SCN5ASCN9ATSHR
SCHEMBL14325 0.86 KCNH2 (0.45) ALDH1A1HRH3KCNH2SCN5ASCN9A
SCHEMBL16132004 0.83 HRH3 (0.49) ALDH1A1HRH3KCNH2SCN5ASCN9A
SCHEMBL12894384 0.83 HRH3 (0.53) ALDH1A1HRH3KCNH2SCN5ASCN9A
SCHEMBL12064 0.81 HRH3 (0.55) ALDH1A1HRH3KCNH2SCN5ASCN9A
SCHEMBL23179559 0.81 HRH3 (0.49) ALDH1A1ACHEHRH3KCNH2SMN1; SMN2
SCHEMBL26031622 0.81 TRPC6 (0.43) ALDH1A1ACHEHRH3KCNH2SCN5A
SCHEMBL17409812 0.81 TRPC6 (0.43) ALDH1A1ACHEHRH3KCNH2SCN5A
SCHEMBL7617880 0.80 ALDH1A1 (0.56) ALDH1A1HRH3KCNH2SCN5ASCN9A
SCHEMBL12513 0.80 LTA4H (0.45) ALDH1A1HRH3KCNH2SCN5ASCN9A

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 ALDH1A1 2519/4885ACHE 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.