SCHEMBL16480069

SCHEMBL16480069

CC1CCN(CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.54
DRD2 P14416 10/20 0.52
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
PRMT1 Q99873 1/20 0.49
PRMT8 Q9NR22 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
EPHX1 P07099 1/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL14197690 0.91 CACNA1H (0.49) CACNA1HDRD2CARM1PRMT6PRMT1
SCHEMBL18947871 0.91 DRD2 (0.54) CACNA1HDRD2EPHX1TDP1
SCHEMBL25031746 0.90 DRD2 (0.55) CACNA1HDRD2EPHX1TDP1
SCHEMBL31301242 0.87 DRD2 (0.63) CACNA1HDRD2EPHX1TDP1
SCHEMBL14614740 0.87 CACNA1H (0.53) CACNA1HDRD2JAK2JAK1EPHX1
SCHEMBL25032149 0.86 HRH3 (0.48) CACNA1HDRD2TDP1
SCHEMBL24811481 0.85 CACNA1H (0.52) CACNA1HDRD2JAK2JAK1EPHX1
SCHEMBL24951961 0.85 DRD2 (0.53) CACNA1HDRD2JAK2JAK1EPHX1
SCHEMBL14708214 0.85 CACNA1H (0.52) CACNA1HDRD2JAK2JAK1EPHX1
SCHEMBL18687462 0.85 CACNA1H (0.52) CACNA1HDRD2JAK2JAK1EPHX1

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-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 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 (2 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 CACNA1H 4337/4885DRD2 2113/4885CARM1 2468/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 CACNA1H 3479/4885DRD2 2904/4885CARM1 2930/4885

“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.