SCHEMBL4544714

SCHEMBL4544714

Cc1ccc(N2CCN(C(C)(C)C)CC2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.43
GFER P55789 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
SLC18A3 Q16572 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
SCHEMBL24421702 0.85 MAPK1 (0.40) MAPTLMNAGFERPOLBALDH1A1
SCHEMBL17625972 0.85 MAPK1 (0.37) MAPTLMNAGFERPOLBNPSR1
SCHEMBL14445331 0.85 MAPK1 (0.53) MAPTNPSR1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL2610122 0.77 SMN1; SMN2 (0.47) MAPTLMNAGFERPOLBNPSR1
SCHEMBL19003699 0.77 SMN1; SMN2 (0.47) MAPTLMNAGFERPOLBNPSR1
SCHEMBL29331244 0.74 MAPT (0.47) MAPTLMNAGFERNPSR1TDP1
SCHEMBL16784692 0.73 MAPT (0.46) MAPTLMNAGFERNPSR1TDP1
SCHEMBL10132281 0.73 MAPK1 (0.51) MAPTLMNAGFERPOLBNPSR1
SCHEMBL19003704 0.73 MAPT (0.43) MAPTLMNAGFERPOLBNPSR1
SCHEMBL15759142 0.71 SLC18A3 (0.52) MAPTLMNAGFERPOLBNPSR1

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-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 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-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 MAPT 759/4885LMNA 4381/4885GFER 1439/4885

“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.