SCHEMBL19173097

SCHEMBL19173097

CC(C)(C)OC(=O)N1CCC(COC(=O)Nc2ccc(C3OCCO3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.51
▸ PTPN2 P17706 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ PTPN6 P29350 1/20 0.50
▸ GPR119 Q8TDV5 5/20 0.46
▸ BCHE P06276 4/20 0.46
▸ MAOB P27338 3/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ ACHE P22303 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19173527 0.86 NAMPT (0.53) NAMPTPTPN2PTPN1PTPN6GPR119
SCHEMBL28425842 0.83 PTPN2 (0.54) NAMPTPTPN2PTPN1PTPN6GPR119
SCHEMBL19172709 0.83 PTPN2 (0.72) NAMPTPTPN2PTPN1PTPN6GPR119
SCHEMBL28423672 0.82 PTPN2 (0.53) NAMPTPTPN2PTPN1PTPN6GPR119
SCHEMBL8986417 0.79 NAMPT (0.65) NAMPTPTPN2PTPN1PTPN6GPR119
SCHEMBL19173146 0.76 GPR119 (0.53) PTPN2PTPN1PTPN6GPR119BCHE
SCHEMBL6227709 0.76 PTPN2 (0.50) PTPN2PTPN1PTPN6BCHEMAOB
SCHEMBL10156800 0.76 NAMPT (0.60) NAMPTPTPN2PTPN1PTPN6GPR119
SCHEMBL1996211 0.75 NAMPT (0.57) NAMPTPTPN2PTPN1PTPN6ABL1
SCHEMBL1996214 0.75 NAMPT (0.57) NAMPTPTPN2PTPN1PTPN6ABL1

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-20210205291-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-07-08 — — US disclosed
US-20210205291-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-07-08 — — US disclosed
EP-3406606-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2018-11-28 — — EP disclosed
CN-107849019-A A kind of azepine Cydic amide derivatives and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2018-03-27 — — CN disclosed
WO-2017125060-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION 四川海思科制药有限公司 2017-07-27 — — WO 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 (1 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-20210205291-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION NNT, NAPRT, NAT1 NAMPT 31/4885PTPN2 4297/4885PTPN1 4023/4885

“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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