SCHEMBL5322781

SCHEMBL5322781

NCCCCC(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
HTR2A P28223 1/20 0.52
TBXAS1 P24557 2/20 0.51
CPB2 Q96IY4 6/20 0.50
CPB1 P15086 1/20 0.50
CYP2C19 P33261 1/20 0.49
GSR P00390 1/20 0.47
RNPEP Q9H4A4 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
EPHX1 P07099 1/20 0.44
CPN1 P15169 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 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
SCHEMBL20850639 0.98 TBXAS1 (0.54) HRH1HTR2ATBXAS1CPB2CPB1
SCHEMBL3781893 0.94 HRH1 (0.59) HRH1HTR2ATBXAS1CPB2CPB1
SCHEMBL14360139 0.88 TBXAS1 (0.60) TBXAS1CPB2CYP2C19EPHX1CPN1
SCHEMBL1613696 0.86 HRH1 (0.56) HRH1HTR2ATBXAS1CPB2CYP2C19
Ammonia Solution, Strong SCHEMBL28556745 0.86 TBXAS1 (0.59) TBXAS1CPB2CYP2C19EPHX1CPN1
Ammonia Solution, Strong SCHEMBL28562956 0.86 TBXAS1 (0.59) TBXAS1CPB2CYP2C19EPHX1CPN1
Hydrochloric Acid SCHEMBL1093394 0.85 HRH1 (0.54) HRH1HTR2ATBXAS1CPB2CYP2C19
SCHEMBL27843751 0.85 HRH1 (0.54) HRH1HTR2ATBXAS1CPB2CYP2C19
SCHEMBL6014424 0.84 CPB2 (0.49) TBXAS1CPB2CPB1GSRRNPEP
SCHEMBL7379796 0.83 MMP2 (0.49) HRH1HTR2ATBXAS1CPB2CYP2C19

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
CN-106191147-B Preparation method of chiral β -amino acid 凯莱英医药集团(天津)股份有限公司 2020-03-27 CN disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 HRH1 3052/4885HTR2A 4400/4885TBXAS1 864/4885

“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.