SCHEMBL11608912

SCHEMBL11608912

CCN(CC)C(=O)CN1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.66
CHRM5 P08912 2/20 0.47
CHRM3 P20309 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MDM2 Q00987 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
OPRM1 P35372 5/20 0.38
OPRD1 P41143 5/20 0.38
TSPO P30536 1/20 0.38
OPRK1 P41145 1/20 0.37
HTR1A P08908 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL6765965 0.93 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3KDM4EMDM2
SCHEMBL11697620 0.85 SIGMAR1 (0.88) SIGMAR1CHRM5CHRM3KDM4EMDM2
SCHEMBL665674 0.83 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3KDM4EMDM2
SCHEMBL20605092 0.82 KDM4E (0.50) SIGMAR1KDM4EMDM2ALDH1A1KMT2A
SCHEMBL7376521 0.81 SIGMAR1 (0.85) SIGMAR1CHRM5CHRM3
SCHEMBL6039643 0.80 KDM4E (0.49) SIGMAR1KDM4EMDM2ALDH1A1KMT2A
SCHEMBL29700458 0.80 KDM4E (0.53) SIGMAR1KDM4EMDM2ALDH1A1KMT2A
SCHEMBL5863 0.80 SIGMAR1 (0.56) SIGMAR1CHRM5CHRM3KDM4EALDH1A1
SCHEMBL15733359 0.80 SIGMAR1 (0.64) SIGMAR1CHRM5CHRM3KDM4EMDM2
SCHEMBL12629398 0.80 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3KDM4EMDM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP 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-4068070-A ANGINA PECTORIS FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1978-01-10 US disclosed
US-3962247-A ANGINA PECTORIS FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-06-08 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 SIGMAR1 427/4885CHRM5 84/4885CHRM3 76/4885

“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.