SCHEMBL21882372

SCHEMBL21882372

O=C(NN1CCNCC1)c1ccc(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
MAOB P27338 1/20 0.46
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL21819626 0.91 CNR1 (0.42) CNR1MAOBSLC6A3KCNH2TAAR1
SCHEMBL21882037 0.82 EGLN1 (0.42) KCNH2
SCHEMBL21882044 0.81 KMT2A (0.49) CNR1KCNH2CNR2
SCHEMBL21882368 0.80 MAOB (0.47) CNR1MAOBCNR2SMN1; SMN2
SCHEMBL21882371 0.79 ATF4 (0.53) CNR1KCNH2CNR2
SCHEMBL21882079 0.78 SMN1; SMN2 (0.67) SMN1; SMN2
SCHEMBL25411521 0.78 L3MBTL1 (0.60) CNR1SMN1; SMN2
SCHEMBL21819339 0.77 ATF4 (0.47) CNR1MAOB
Trifluoroacetic Acid SCHEMBL21819534 0.77 KMT2A (0.45) CNR1KCNH2CNR2SMN1; SMN2
SCHEMBL28584086 0.75 CNR1 (0.42) CNR1MAOBCNR2

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 CNR1 2950/4885MAOB 2567/4885SLC6A3 1525/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 CNR1 2950/4885MAOB 2567/4885SLC6A3 1525/4885

“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.