SCHEMBL16702811

SCHEMBL16702811

CC1(C)CN(c2ccncc2[N+](=O)[O-])CCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.49
MAPT P10636 9/20 0.47
HTT P42858 3/20 0.47
POLB P06746 1/20 0.47
GSK3B P49841 1/20 0.44
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
FFAR2 O15552 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
CTSB P07858 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL19417846 0.80 MAPT (0.69) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL30050306 0.80 MAPT (0.69) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL16702866 0.78 LATS1 (0.54) LATS1MAPTGSK3BKEAP1NFE2L2
SCHEMBL4555801 0.77 SMN1; SMN2 (0.53) MAPTHTTPOLBALDH1A1LMNA
SCHEMBL4432077 0.77 MAPT (0.46) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL17376424 0.76 FFAR2 (0.42) LATS1MAPTHTTPOLBGSK3B
SCHEMBL9425659 0.75 MAPT (0.67) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL30051429 0.75 MAPT (0.47) MAPTHTTPOLBGSK3BCYP1A2
SCHEMBL20189504 0.75 MAPT (0.47) MAPTHTTPOLBGSK3BCYP1A2
SCHEMBL15771279 0.74 CYP3A4 (0.52) MAPTHTTPOLBCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 EP disclosed
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO 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-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP LATS1 720/4885MAPT 90/4885HTT 2236/4885

“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.