SCHEMBL20189764

SCHEMBL20189764

CC1CN(c2cc(F)ncc2[N+](=O)[O-])CCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPK1 P28482 1/20 0.36
GSK3B P49841 2/20 0.36
SCN9A Q15858 1/20 0.36
LRRK2 Q5S007 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR174 Q9BXC1 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
SCHEMBL30051424 1.00 MAPT (0.44) MAPTALDH1A1LMNAGAAHTT
SCHEMBL20189547 0.83 MAPT (0.38) MAPTALDH1A1LMNAGAAHTT
SCHEMBL29742193 0.83 MAPT (0.38) MAPTALDH1A1LMNAGAAHTT
SCHEMBL16702653 0.81 MAPT (0.58) MAPTALDH1A1LMNAGAAHTT
SCHEMBL30051850 0.79 LRRK2 (0.40) MAPTPDE3BPDE3AGSK3BLRRK2
SCHEMBL20190223 0.79 LRRK2 (0.40) MAPTPDE3BPDE3AGSK3BLRRK2
SCHEMBL30051429 0.78 MAPT (0.47) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL20189504 0.78 MAPT (0.47) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL25244770 0.76 MAPT (0.59) MAPTALDH1A1LMNAGAAHTT
SCHEMBL26151071 0.76 MAPT (0.43) MAPTALDH1A1LMNAGAAHTT

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 10 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
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 81/4885ALDH1A1 4339/4885LMNA 1511/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP MAPT 81/4885ALDH1A1 4339/4885LMNA 1511/4885

“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.