SCHEMBL13034838

SCHEMBL13034838

C#CCCC[C@H](NC)C(=O)NC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
BMP1 P13497 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18646647 0.83 MAPT (0.39) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL20414883 0.76 CA2 (0.44) MAPK1
SCHEMBL13445989 0.76 MMP2 (0.31) BMP1
SCHEMBL13351183 0.76 CA2 (0.44) MAPK1
SCHEMBL13267743 0.75 USP2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL25556371 0.75 MMP1 (0.40) BMP1
SCHEMBL17377402 0.75 MMP3 (0.44)
SCHEMBL13267748 0.74 USP2 (0.47) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL25139537 0.73 MMP3 (0.34) BMP1
SCHEMBL7980257 0.73 SIRT6 (0.43)

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-20140371148-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME ASTRAZENECA PHARMACEUTICALS LP 2014-12-18 US disclosed
US-8759295-B2 Peptide-peptidase inhibitor conjugates and methods of using same AMYLIN PHARMACEUTICALS, LLC (US) 2014-06-24 US disclosed
US-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20090186817-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2009-07-23 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 (4 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-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same DNPEP, PEPD, VIP CYP1A2 4169/4885CYP2D6 3890/4885MAPT 3716/4885
US-20090186817-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME DNPEP, PEPD, VIP CYP1A2 4169/4885CYP2D6 3890/4885MAPT 3716/4885
US-20140371148-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME DNPEP, PEPD, VIP CYP1A2 4169/4885CYP2D6 3890/4885MAPT 3716/4885
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME DNPEP, PEPD, VIP CYP1A2 4059/4885CYP2D6 3593/4885MAPT 3789/4885

“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.