SCHEMBL21882371

SCHEMBL21882371

O=C(NN1CCNCC1)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 8/20 0.53
CNR1 P21554 1/20 0.47
CNR2 P34972 4/20 0.46
HRH4 Q9H3N8 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SCN9A Q15858 4/20 0.42
SCN7A Q01118 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
Trifluoroacetic Acid SCHEMBL21819270 0.92 ATF4 (0.50) ATF4CNR1CNR2SCN9ASCN7A
SCHEMBL23202697 0.84 ATF4 (0.55) ATF4CNR1CNR2HRH4SCN9A
SCHEMBL21882075 0.83 ATF4 (0.56) ATF4CNR1CNR2SCN9A
SCHEMBL30053477 0.82 ATF4 (0.55) ATF4CNR1CNR2SCN9A
SCHEMBL24997307 0.82 ATF4 (0.55) ATF4CNR1CNR2SCN9A
SCHEMBL21819743 0.80 ATF4 (0.63) ATF4CNR1CNR2SCN9A
SCHEMBL23920505 0.80 ATF4 (0.56) ATF4CNR1CNR2SCN9A
SCHEMBL21882029 0.79 SMN1; SMN2 (0.50) ATF4HRH4
SCHEMBL21882372 0.79 CNR1 (0.48) CNR1CNR2KCNH2
SCHEMBL24997256 0.78 ATF4 (0.52) ATF4CNR1CNR2

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 ATF4 1/4885CNR1 2950/4885CNR2 2686/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 ATF4 1/4885CNR1 2950/4885CNR2 2686/4885

“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.