SCHEMBL16839799

SCHEMBL16839799

CCOC(=O)C(C)CNCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
CDK2 P24941 7/20 0.41
CCNE1 P24864 6/20 0.41
CDK5 Q00535 5/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CHRM4 P08173 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDK9 P50750 2/20 0.41
CDK1 P06493 1/20 0.41
CDK7 P50613 1/20 0.41
HDAC3 O15379 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
SCHEMBL16839762 0.84 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1CYP2D6CYP1A2HDAC1
SCHEMBL9524914 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1L3MBTL1CYP2D6CYP1A2
SCHEMBL16839741 0.80 LTA4H (0.48) SMN1; SMN2ALDH1A1KDM4ECYP2D6CYP1A2
SCHEMBL16839868 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16839657 0.78 KDM4E (0.42) F2F10PRSS1CDK2CCNE1
SCHEMBL16839851 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL16839777 0.76 MEN1 (0.52) SMN1; SMN2ALDH1A1KDM4EEPHX2MEN1
SCHEMBL334806 0.76 LMNA (0.51) SMN1; SMN2KDM4EL3MBTL1CYP2D6CYP1A2
SCHEMBL16839629 0.75 CYP2D6 (0.46) SMN1; SMN2ALDH1A1KDM4ECYP2D6CYP1A2
SCHEMBL1773404 0.75 CYP1A2 (0.49) SMN1; SMN2ALDH1A1KDM4EL3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 SMN1; SMN2 2832/4885F2 2370/4885F10 3232/4885

“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.