SCHEMBL22614436

SCHEMBL22614436

NC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)CC2

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 10/20 0.86
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SENP2 Q9HC62 1/20 0.47
▸ SENP1 Q9P0U3 1/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ HSD11B2 P80365 1/20 0.46

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
SCHEMBL22656718 0.93 ATF4 (1.00) ATF4NPC1RAB9ATSHRNPSR1
SCHEMBL20582519 0.92 ATF4 (0.78) ATF4NPC1RAB9ATSHRNPSR1
SCHEMBL19555369 0.87 ATF4 (0.83) ATF4NPC1RAB9ATSHRNPSR1
SCHEMBL19569398 0.87 ATF4 (1.00) ATF4NPC1RAB9ATSHRNPSR1
SCHEMBL19569281 0.87 ATF4 (0.94) ATF4NPC1RAB9ATSHRNPSR1
Hydrochloric Acid SCHEMBL20610394 0.86 ATF4 (0.81) ATF4NPC1RAB9ATSHRNPSR1
SCHEMBL20974142 0.84 ATF4 (1.00) ATF4NPC1RAB9ATSHRNPSR1
SCHEMBL23149246 0.83 ATF4 (0.80) ATF4NPC1RAB9ATSHRNPSR1
SCHEMBL22397082 0.83 ATF4 (0.80) ATF4NPC1RAB9ATSHR
SCHEMBL19555891 0.82 ATF4 (0.65) ATF4

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 ATF4 1/4885NPC1 1292/4885RAB9A 2923/4885

“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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