SCHEMBL22612362

SCHEMBL22612362

O=C(O)NC1CCC(N2CCN(c3ccc(C(F)F)cn3)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.36
▸ NPY5R Q15761 3/20 0.34
▸ SCN9A Q15858 5/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ PDE7A Q13946 1/20 0.32

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
SCHEMBL22612365 1.00 GRM5 (0.36) GRM5NPY5RSCN9AHCRTR1HCRTR2
SCHEMBL22622798 0.85 ALDH1A1 (0.46) —
SCHEMBL31566196 0.84 TIPARP (0.34) GRM5NPY5RSCN9APDE7A
SCHEMBL22612370 0.84 TIPARP (0.34) GRM5NPY5RSCN9APDE7A
SCHEMBL22612368 0.84 TIPARP (0.34) GRM5NPY5RSCN9APDE7A
SCHEMBL22612429 0.83 AR (0.42) —
SCHEMBL22612431 0.83 AR (0.42) —
SCHEMBL22612355 0.82 GRM5 (0.37) GRM5NPY5RSCN9A
SCHEMBL22612358 0.82 GRM5 (0.37) GRM5NPY5RSCN9A
SCHEMBL22612430 0.82 ATF4 (0.46) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 — — 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 (1 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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 GRM5 1089/4885NPY5R 1505/4885SCN9A 4209/4885

“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.

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