SCHEMBL23944428

SCHEMBL23944428

CC(C)(C)c1ccc2sc(CC(C)(C)c3ccc(C#N)nc3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.41
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33
CHEK1 O14757 1/20 0.32
DGAT1 O75907 1/20 0.32
PPARA Q07869 1/20 0.31
AKR1B1 P15121 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL26315535 0.74 TRPV1 (0.40) TRPV1AKR1B1LOXL2NPC1RAB9A
SCHEMBL14791428 0.72 NPC1 (0.59) TRPV1AKR1B1LOXL2HDAC3HDAC1
SCHEMBL24366298 0.71 TRPV1 (0.39) TRPV1AKR1B1LOXL2HDAC3HDAC1
SCHEMBL2739660 0.71 KIF11 (0.44) CHEK1DGAT1HPGDARRAB9A
SCHEMBL20932782 0.69 NPC1 (0.43) TRPV1F2RL3NPC1RAB9A
SCHEMBL18745830 0.68 AR (0.40) CHEK1DGAT1CYP2C9ARNPC1
SCHEMBL18935708 0.66 AR (0.39) CHEK1DGAT1AR
SCHEMBL5632209 0.66 DYRK1A (0.50) TRPV1CSNK1DAKR1B1
SCHEMBL29485636 0.65 MEN1 (0.46) TRPV1CSNK1DCSNK1G2PPARACYP1A2
SCHEMBL16492036 0.65 MEN1 (0.46) TRPV1CSNK1DCSNK1G2PPARACYP1A2

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-11655223-B2 Certain (2S)-N-[(1 s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 US disclosed
US-20230028726-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-01-26 US disclosed
US-20210322438-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING LUPUS NEPHRITIS INSMED INCORPORATED 2021-10-21 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-20230028726-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 TRPV1 504/4885CSNK1D 239/4885CSNK1G2 170/4885
US-20210322438-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING LUPUS NEPHRITIS DPP7, DPP8, DPP9 TRPV1 979/4885CSNK1D 997/4885CSNK1G2 622/4885
US-11655223-B2 Certain (2S)-N-[(1 s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPP3 TRPV1 514/4885CSNK1D 238/4885CSNK1G2 171/4885

“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.