SCHEMBL9104945

SCHEMBL9104945

O=C(O)NC1(CO)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.45
CNR2 P34972 6/20 0.37
DPP4 P27487 5/20 0.37
CACNA1H O95180 1/20 0.34
ADRB2 P07550 2/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CNR1 P21554 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
SCHEMBL3675526 0.98 MME (0.44) MMECNR2DPP4CACNA1HADRB2
SCHEMBL18131263 0.95 MME (0.41) MMECNR2DPP4CACNA1HCNR1
SCHEMBL3151070 0.90
SCHEMBL19749002 0.82 MME (0.38) MMECNR2DPP4ALDH1A1
SCHEMBL3830401 0.80 DPP4 (0.41) MMEDPP4ALDH1A1
SCHEMBL4725793 0.80 KDM4E (0.34) MME
SCHEMBL23573562 0.79 MME (0.37) MMEADRB2CYP2C19ALDH1A1HTT
SCHEMBL976812 0.79 MME (0.44) MMECNR2DPP4CACNA1HALDH1A1
SCHEMBL14165607 0.79 ALDH1A1 (0.42) MMEADRB2CYP2C19ALDH1A1HTT
SCHEMBL16333537 0.77 CYP2C19 (0.34) MMEADRB2CYP2C19ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1898234-A Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORP (US) 2007-01-17 CN claimed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
US-9695162-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-07-04 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
US-20170029416-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-02-02 US disclosed
WO-2014130513-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-08-28 WO disclosed
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed
CN-1898234-A Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORP (US) 2007-01-17 CN 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 MME 460/4885CNR2 276/4885DPP4 610/4885
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP MME 777/4885CNR2 4748/4885DPP4 1451/4885
US-20170029416-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 MME 2701/4885CNR2 3761/4885DPP4 387/4885

“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.