SCHEMBL3538823

SCHEMBL3538823

CC(C)(C)OC(=O)N1CCN(c2ncccc2C#N)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.59
▸ ALDH1A1 P00352 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ PANK3 Q9H999 1/20 0.55
▸ MAPT P10636 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ GPR119 Q8TDV5 4/20 0.53
▸ NR1H2 P55055 1/20 0.53
▸ NR1H3 Q13133 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ DRD2 P14416 2/20 0.50
▸ HSD11B1 P28845 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HTR1A P08908 1/20 0.48

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
SCHEMBL3288391 0.96 MEN1 (0.58) KDM4EALDH1A1TDP1PANK3MAPT
SCHEMBL2717202 0.85 POLB (0.50) KDM4EALDH1A1TDP1GPR119POLB
SCHEMBL3436722 0.83 POLB (0.57) GPR119POLBKIT
SCHEMBL31046329 0.83 POLB (0.57) ALDH1A1MAPTGPR119POLBKIT
SCHEMBL2715768 0.83 POLB (0.57) ALDH1A1MAPTGPR119POLBKIT
SCHEMBL29678394 0.82 KDM4E (0.65) KDM4EALDH1A1TDP1PANK3MAPT
SCHEMBL13862949 0.82 KDM4E (0.65) KDM4EALDH1A1TDP1PANK3MAPT
SCHEMBL652792 0.82 GRM5 (0.53) ALDH1A1MAPTGPR119DRD2
SCHEMBL3333064 0.82 KDM4E (0.58) KDM4EALDH1A1TDP1PANK3MAPT
SCHEMBL31652007 0.82 POLB (0.54) ALDH1A1MAPTGPR119POLB

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
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 — — US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 — — US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 — — US disclosed
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 — — US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 — — EP 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-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A KDM4E 444/4885ALDH1A1 3523/4885TDP1 3611/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KDM4E 3452/4885ALDH1A1 3045/4885TDP1 1904/4885
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 KDM4E 2945/4885ALDH1A1 925/4885TDP1 4007/4885

“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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