SCHEMBL21116984

SCHEMBL21116984

CC1(C(=O)NCCOc2ccc(F)cc2)C=C(NC(=O)COc2ccc(Cl)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ LMNA P02545 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ ATF4 P18848 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL21116592 0.95 KMT2A (0.47) LMNAKMT2AALDH1A1ATMMEN1
SCHEMBL21116380 0.91 NPC1 (0.53) DRD2DRD4DRD3LMNAKMT2A
SCHEMBL21116381 0.91 TP53 (0.45) LMNAKMT2AALDH1A1TP53ATM
SCHEMBL24116652 0.87 ALDH1A1 (0.50) LMNAALDH1A1NPC1TSHRTHRB
SCHEMBL21116634 0.86 PPARD (0.55) LMNAKMT2AALDH1A1MEN1NPC1
SCHEMBL22669132 0.81 ATF4 (0.53) LMNAKMT2AALDH1A1TP53MEN1
SCHEMBL24324190 0.80 ATF4 (0.52) DRD2DRD4DRD3LMNAKMT2A
SCHEMBL19577395 0.76 ATF4 (0.62) DRD2DRD4DRD3LMNAKMT2A
SCHEMBL20999196 0.75 ATF4 (0.59) LMNAKMT2AALDH1A1MEN1NPC1
SCHEMBL20999633 0.72 ATF4 (0.66) LMNAKMT2AALDH1A1TP53MEN1

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
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-12-23 — — US disclosed
US-10836725-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2020-11-17 — — US disclosed
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2019-06-27 — — 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 (3 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-10836725-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 DRD2 3271/4885DRD4 3678/4885DRD3 3495/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 DRD2 3271/4885DRD4 3678/4885DRD3 3495/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 DRD2 3271/4885DRD4 3678/4885DRD3 3495/4885

“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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