SCHEMBL22613807

SCHEMBL22613807

O=C(O)NC12CC(c3cc(-c4ccc(Cl)cc4)on3)(C1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDH1 P12830 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ TCF7L2 Q9NQB0 1/20 0.48
▸ NOTUM Q6P988 1/20 0.45
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ MAPT P10636 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ THRB P10828 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 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
SCHEMBL22613960 0.85 KMO (0.41) NOTUMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL29408879 0.83 CDH1 (0.42) CDH1CTNNB1TCF7L2NOTUMRAB9A
SCHEMBL22614234 0.78 ATF4 (0.35) —
SCHEMBL22614325 0.78 POLB (0.43) NOTUMRAB9ANPC1MAPTCYP1A2
SCHEMBL29408906 0.76 ATF4 (0.38) CDH1CTNNB1TCF7L2NOTUMRAB9A
SCHEMBL29409027 0.76 ATF4 (0.38) CDH1CTNNB1TCF7L2NOTUMRAB9A
SCHEMBL22614188 0.76 ATF4 (0.38) CDH1CTNNB1TCF7L2NOTUMRAB9A
SCHEMBL22614117 0.76 ATF4 (0.38) CDH1CTNNB1TCF7L2NOTUMRAB9A
SCHEMBL892967 0.72 CDH1 (0.82) CDH1CTNNB1TCF7L2NOTUMRAB9A
SCHEMBL22362680 0.72 ATF4 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237413-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-09-06 — — EP disclosed
WO-2022094244-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-05-05 — — WO disclosed
EP-3962906-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 — — EP disclosed
US-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 — — US disclosed
WO-2020223538-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 — — WO 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-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CDH1 4532/4885CTNNB1 3404/4885TCF7L2 1942/4885

“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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