SCHEMBL22612449

SCHEMBL22612449

O=C(NC1CCC(N2CCN(c3ccc(C(F)F)cn3)C2=O)CC1)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.39
▸ CHRM4 P08173 3/20 0.39
▸ PRKAA2 P54646 3/20 0.38
▸ PRKAB2 O43741 2/20 0.38
▸ PRKAG1 P54619 2/20 0.38
▸ PRKAA1 Q13131 2/20 0.38
▸ PRKAG3 Q9UGI9 2/20 0.38
▸ PRKAG2 Q9UGJ0 2/20 0.38
▸ PRKAB1 Q9Y478 2/20 0.38
▸ LIPE Q05469 4/20 0.38
▸ SCN9A Q15858 7/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ HPGDS O60760 1/20 0.35
▸ SCN10A Q9Y5Y9 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
SCHEMBL22612451 1.00 NR3C1 (0.39) NR3C1CHRM4PRKAA2PRKAB2PRKAG1
SCHEMBL22612387 0.85 LIPE (0.49) LIPE
SCHEMBL22612385 0.85 LIPE (0.49) LIPE
SCHEMBL22612365 0.81 GRM5 (0.36) SCN9A
SCHEMBL22612362 0.81 GRM5 (0.36) SCN9A
SCHEMBL22612391 0.79 KMT2A (0.40) LIPESCN9A
SCHEMBL22612392 0.79 KMT2A (0.40) LIPESCN9A
SCHEMBL22612429 0.78 AR (0.42) —
SCHEMBL22612431 0.78 AR (0.42) —
SCHEMBL22612355 0.73 GRM5 (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218851-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-12 — — CN disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 — — US disclosed
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 NR3C1 7/4885CHRM4 4203/4885PRKAA2 493/4885

“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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