SCHEMBL20189765

SCHEMBL20189765

O=[N+]([O-])c1cnccc1N1CCC2(CC1)COC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
HTT P42858 4/20 0.49
POLB P06746 1/20 0.49
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
PDE9A O76083 1/20 0.42
ATR Q13535 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
MITF O75030 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL16702826 0.82 GSK3B (0.50) MAPTHTTPOLBMEN1KMT2A
SCHEMBL19417846 0.82 MAPT (0.69) MAPTHTTPOLBKMT2AALDH1A1
SCHEMBL30050306 0.82 MAPT (0.69) MAPTHTTPOLBKMT2AALDH1A1
SCHEMBL4555801 0.82 SMN1; SMN2 (0.53) MAPTHTTPOLBMEN1KMT2A
SCHEMBL9425659 0.80 MAPT (0.67) MAPTHTTPOLBMEN1KMT2A
SCHEMBL1710516 0.79 MAPT (0.65) MAPTHTTPOLBMEN1KMT2A
SCHEMBL20189964 0.78 MAPT (0.50) MAPTHTTPOLBMEN1KMT2A
SCHEMBL15771279 0.76 CYP3A4 (0.52) MAPTHTTPOLBMEN1KMT2A
SCHEMBL15784034 0.76 CYP11B1 (0.51) MAPTCYP11B1CYP11B2PDE9AATR
SCHEMBL4437996 0.76 MAPT (0.53) MAPTHTTPOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225912-B GSK-3 inhibitors 百时美施贵宝公司 2022-10-21 CN disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 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 (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-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MAPT 81/4885HTT 2452/4885POLB 1008/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP MAPT 81/4885HTT 2452/4885POLB 1008/4885

“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.