SCHEMBL17814191

SCHEMBL17814191

O=C(C1Cc2c([nH]c3ccccc23)CN1)N1CCC[C@H]1B(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.52
DPP4 P27487 7/20 0.49
FAP Q12884 5/20 0.47
DPP8 Q6V1X1 3/20 0.47
DPP9 Q86TI2 3/20 0.47
DPP7 Q9UHL4 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
PREP P48147 2/20 0.40
NR2E1 Q9Y466 1/20 0.40

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
SCHEMBL19334937 1.00 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12709880 0.85 KDM4E (0.58) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13371727 0.84 DPP4 (0.47) CYP2D6MAPK1DPP4FAPDPP8
SCHEMBL13347197 0.84 DPP4 (0.47) CYP2D6MAPK1DPP4FAPDPP8
Hydrochloric Acid SCHEMBL6187783 0.81 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17814288 0.78 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
SCHEMBL9038091 0.77 KDM4E (0.46) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL416558 0.74 KDM4E (0.71) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL7889282 0.74 KDM4E (0.71) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL416557 0.74 KDM4E (0.71) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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
US-20170333461-A1 PEPTIDOMIMETIC INHIBITORS OF POST-PROLINE CLEAVING ENZYMES BACH BIOSCIENCES, LLC 2017-11-23 US disclosed
US-9757400-B2 Peptidomimetic inhibitors of post-proline cleaving enzymes TRUSTEES OF TUFTS COLLEGE (US) 2017-09-12 US disclosed
US-20160158260-A1 Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes BACH BIOSCIENCES, LLC 2016-06-09 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 (2 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-20170333461-A1 PEPTIDOMIMETIC INHIBITORS OF POST-PROLINE CLEAVING ENZYMES PREP, PEPD, DNPEP KDM4E 3079/4885CYP1A2 2361/4885CYP2D6 1755/4885
US-20160158260-A1 Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes PREP, PEPD, DNPEP KDM4E 3079/4885CYP1A2 2361/4885CYP2D6 1755/4885

“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.