SCHEMBL17014180

SCHEMBL17014180

C=CCN(CC(=O)c1ccccn1)B(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.42
WNT3A P56704 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
GRM4 Q14833 1/20 0.39
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTBP1 P26599 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL17014177 0.81 KDM4E (0.39) ALDH1A1KMT2ANAPRTRAB9AKDM4E
SCHEMBL15294844 0.80 ALDH1A1 (0.41) ALDH1A1CES1KMT2ALMNAL3MBTL1
SCHEMBL17005191 0.78 L3MBTL1 (0.45) CTNNB1WNT3AALDH1A1CES2CES1
SCHEMBL17014178 0.76 SMN1; SMN2 (0.42) ALDH1A1KMT2ALMNAL3MBTL1NAPRT
SCHEMBL17014181 0.75 PLOD2 (0.46) ALDH1A1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL15549461 0.74 SMN1; SMN2 (0.39) CTNNB1WNT3AALDH1A1CES2CES1
SCHEMBL15294845 0.73 ALDH1A1 (0.45) CTNNB1WNT3AALDH1A1CES2CES1
SCHEMBL15294846 0.73
SCHEMBL4555882 0.73 CES2 (0.53) CTNNB1WNT3AALDH1A1CES2CES1
SCHEMBL27883073 0.72 CES2 (0.48) ALDH1A1CES2CES1KMT2ALMNA

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 CTNNB1 429/4885WNT3A 231/4885ALDH1A1 1107/4885

“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.