SCHEMBL21882064

SCHEMBL21882064

O=C(COI)NC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.53
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.44
CHRM3 P20309 2/20 0.42
CHRM5 P08912 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.38
ATF4 P18848 1/20 0.38
CHRM1 P11229 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL4070701 0.83 EPHX1 (0.55) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL15447812 0.81 NPSR1 (0.68) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL24225695 0.79 NPSR1 (0.46) NPSR1LMNAATF4SMN1; SMN2HPGD
SCHEMBL28291327 0.79 EPHX1 (0.50) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL7656762 0.79 EPHX1 (0.50) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL19764243 0.77 GNAI3 (0.49) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL12049724 0.76 EPHX1 (0.47) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL5106542 0.76 EPHX1 (0.61) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL18872267 0.76 GNAI3 (0.48) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL21882043 0.75 NPSR1 (0.42) POLBNPSR1SIGMAR1LMNAATF4

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-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 US disclosed
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-04-02 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 (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-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 EPHX1 4173/4885GNAI3 252/4885GNAO1 2519/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 EPHX1 4173/4885GNAI3 252/4885GNAO1 2519/4885

“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.