SCHEMBL17014177

SCHEMBL17014177

C=CCN(CC(=O)c1cnccn1)B(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TSHR P16473 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
MC4R P32245 1/20 0.38
ADRA1A P35348 1/20 0.38
MC3R P41968 1/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PSMB11 A5LHX3 2/20 0.34
PSMA7 O14818 2/20 0.34
PSMB1 P20618 2/20 0.34
PSMA1 P25786 2/20 0.34
PSMA2 P25787 2/20 0.34
PSMA3 P25788 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
SCHEMBL17014183 0.82 KDM4E (0.31) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL17014180 0.81 CTNNB1 (0.42) KDM4ENAPRTSMN1; SMN2RAB9ANPC1
SCHEMBL15658741 0.78 KDM4E (0.45) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL17014181 0.77 PLOD2 (0.46) KDM4EHCAR2GAAALDH1A1KMT2A
SCHEMBL17014178 0.76 SMN1; SMN2 (0.42) KDM4ENAPRTADORA3SMN1; SMN2GAA
SCHEMBL15672500 0.74 POLB (0.37) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL15294844 0.71 ALDH1A1 (0.41) KDM4ETSHRSMN1; SMN2RAB9ANPC1
SCHEMBL15294846 0.70
SCHEMBL6281131 0.69 KDM4E (0.52) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL15294845 0.68 ALDH1A1 (0.45) TSHRPOLBSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328124-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2016-05-03 US disclosed
US-20150232483-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2015-08-20 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-20150232483-A1 BACE INHIBITORS BACE1, BACE2, APP KDM4E 2782/4885NAPRT 2861/4885HCAR2 1599/4885

“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.