SCHEMBL21116380

SCHEMBL21116380

Cc1ccc(OCCNC(=O)C2(C)C=C(NC(=O)COc3ccc(Cl)cc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KCNA5 P22460 1/20 0.44

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 0.96 KMT2A (0.47) NPC1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL21116984 0.91 DRD2 (0.44) NPC1ALDH1A1L3MBTL1KDM4EDRD2
SCHEMBL21116634 0.91 PPARD (0.55) NPC1ALDH1A1NPY1RNPY2RKMT2A
SCHEMBL24116652 0.89 ALDH1A1 (0.50) NPC1ALDH1A1NPY1RNPY2RTDP1
SCHEMBL21116381 0.86 TP53 (0.45) NPC1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL22669222 0.81 ATF4 (0.54) NPC1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL24324540 0.79 NPC1 (0.58) NPC1ALDH1A1NPY1RNPY2RL3MBTL1
SCHEMBL19577397 0.77 ATF4 (0.62) NPC1ALDH1A1NPY1RNPY2RL3MBTL1
SCHEMBL20999196 0.76 ATF4 (0.59) NPC1ALDH1A1L3MBTL1KMT2ACYP1A2
SCHEMBL24323107 0.74 NPC1 (0.52) NPC1ALDH1A1KDM4EHSD17B10KMT2A

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 NPC1 1252/4885ALDH1A1 3433/4885NPY1R 2589/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 NPC1 1252/4885ALDH1A1 3433/4885NPY1R 2589/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 NPC1 1252/4885ALDH1A1 3433/4885NPY1R 2589/4885

“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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