SCHEMBL22613817

SCHEMBL22613817

O=C(NC1CCC(N2CCN(c3ccc(C(F)(F)F)nc3)C2=O)CC1)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ATF4 P18848 3/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ FPR2 P25090 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ FPR1 P21462 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PARP1 P09874 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
SCHEMBL22614164 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL29408908 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL22613816 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL22614166 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL29409028 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL29159614 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL29408940 0.85 ATF4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ATF4
SCHEMBL22614031 0.85 ATF4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ATF4
SCHEMBL22614034 0.85 ATF4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ATF4
SCHEMBL29159601 0.85 ATF4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145594-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2025-05-08 — — US disclosed
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
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 — — CN 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 (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-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CCNC 2570/4885CDK8 685/4885CYP1A2 2968/4885
US-20250145594-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CCNC 2938/4885CDK8 952/4885CYP1A2 1824/4885

“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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