SCHEMBL17828166

SCHEMBL17828166

COc1ccncc1CN1CCC(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
HTR7 P34969 5/20 0.46
GNAI3 P08754 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL17828051 0.92 CHRNB4 (0.41) ACHEHTR7GNAI3CHRM2CHRM4
SCHEMBL6174046 0.84 KDM4E (0.56) KDM4EALDH1A1HTTHRH3GAA
SCHEMBL2495479 0.83 KMT2A (0.44) ACHEGNAI3CHRM2CHRM4CHRM5
SCHEMBL27643123 0.81 GNAI3 (0.39) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12013923 0.79 CHRM2 (0.68) ACHEHTR7GNAI3CHRM2CHRM4
SCHEMBL5783065 0.77 KCNH2 (0.47) ACHE
SCHEMBL12367095 0.77 ACHE (0.49) ACHEALDH1A1HRH3KMT2A
SCHEMBL29955684 0.74 HTR7 (0.55) ACHEHTR7GNAI3KDM4EALDH1A1
Benzoic Acid SCHEMBL2491786 0.73 KDM4E (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27644587 0.73 GAA (0.54) KDM4EALDH1A1CHRNB4CHRNA3HRH3

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 ACHE 1829/4885HTR7 425/4885GNAI3 1729/4885

“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.