SCHEMBL3487634

SCHEMBL3487634

O=C(NC1CCCCN(C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.61
DPP7 Q9UHL4 6/20 0.61
KCNH2 Q12809 3/20 0.61
CTSL P07711 1/20 0.61
CTSB P07858 1/20 0.61
CTSK P43235 1/20 0.61
EPHX1 P07099 1/20 0.60
HSD11B1 P28845 1/20 0.58
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
F13A1 P00488 2/20 0.48
TGM2 P21980 2/20 0.48
TGM1 P22735 2/20 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
SCHEMBL22829637 1.00 DPP4 (0.61) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL3489847 0.96 CTSL (0.62) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL22469041 0.92 HSD11B1 (0.62) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL3667335 0.91 CTSL (0.68) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL13740409 0.91 CTSL (0.68) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL3003867 0.91 CTSL (0.68) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL25203367 0.87 HSD11B1 (0.60) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL2551898 0.86 DPP4 (0.62) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL22469698 0.86 DPP4 (0.54) DPP4DPP7KCNH2CTSLCTSB
SCHEMBL18956862 0.86 CTSL (0.58) DPP4DPP7KCNH2CTSLCTSB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 EP disclosed
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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 (2 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-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 DPP4 49/4885DPP7 299/4885KCNH2 4037/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 DPP4 583/4885DPP7 872/4885KCNH2 451/4885

“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.