SCHEMBL20544717

SCHEMBL20544717

NC(=O)[C@@H]1CCCN1CCNC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
POLB P06746 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 1/20 0.38
NR1I2 O75469 1/20 0.36
F2 P00734 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
ACE P12821 1/20 0.35
MAPT P10636 1/20 0.35
KCNK3 O14649 1/20 0.35
SCN3A Q9NY46 1/20 0.34
CHRM1 P11229 2/20 0.34

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
SCHEMBL20544718 1.00 DPP4 (0.40) DPP4POLBSPHK1HTTNR1I2
SCHEMBL20545344 0.89 DPP4 (0.43) DPP4POLBSPHK1HTTNR1I2
SCHEMBL20545347 0.89 DPP4 (0.43) DPP4POLBSPHK1HTTNR1I2
SCHEMBL20838281 0.86 CYP2D6 (0.41) DPP4POLBNR1I2SMN1; SMN2LMNA
SCHEMBL18850971 0.86 F2 (0.38) DPP4POLBSPHK1HTTNR1I2
SCHEMBL7131093 0.79 EPHX1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL6828378 0.79 EPHX1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL5216741 0.78 HTT (0.49) DPP4POLBSPHK1HTTNR1I2
SCHEMBL3276055 0.78 POLB (0.40) DPP4POLBSPHK1HTTNR1I2
SCHEMBL3740451 0.78 HTT (0.49) DPP4POLBSPHK1HTTNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 US 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 DPP4 1498/4885POLB 2549/4885SPHK1 1263/4885

“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.