SCHEMBL16839697

SCHEMBL16839697

CCOC(=O)C(C)(C)CNCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MMP8 P22894 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HDAC1 Q13547 1/20 0.44
PPID Q08752 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
PIN1 Q13526 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
SCHEMBL7440971 0.92 SMN1; SMN2 (0.56) SMN1; SMN2MMP8MEN1KMT2APPID
SCHEMBL2226 0.82 MYC (0.46) SMN1; SMN2MMP8ALDH1A1FFAR1
SCHEMBL16839699 0.81 KCNQ2 (0.49) SMN1; SMN2KMT2AFFAR1MAPK1
SCHEMBL16839005 0.81 MKNK1 (0.44) HDAC1PPIDLMNA
SCHEMBL16838990 0.81 MAPK1 (0.48) SMN1; SMN2MMP8MEN1KMT2AHDAC1
SCHEMBL16839015 0.79 MEN1 (0.42) SMN1; SMN2MMP8MEN1KMT2APPID
SCHEMBL16838997 0.78 ALDH1A1 (0.47) SMN1; SMN2MMP8MEN1KMT2AALDH1A1
SCHEMBL12894961 0.77 PPID (0.58) SMN1; SMN2MEN1KMT2AHDAC1PPID
SCHEMBL2171018 0.77 PPID (0.66) SMN1; SMN2MMP8PPIDALDH1A1RECQL
SCHEMBL24241874 0.76 SMN1; SMN2 (0.55) SMN1; SMN2MMP8MEN1KMT2AHDAC1

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 2832/4885MMP8 2565/4885MEN1 1627/4885

“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.