SCHEMBL17394686

SCHEMBL17394686

COc1cc(N2CCN(C(=O)O)CC2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 3/20 0.39
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C3 P42330 1/20 0.38
CCR1 P32246 3/20 0.38
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
ALK Q9UM73 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL2383479 0.86 MAPT (0.49) SMN1; SMN2MAPTTSHRLMNAMEN1
SCHEMBL17310043 0.84 SIRT6 (0.49) SMN1; SMN2MAPTHTTNPC1RAB9A
SCHEMBL790815 0.83 ALDH1A1 (0.48) SMN1; SMN2MAPTHTTNPC1ALOX15
SCHEMBL2442056 0.82 SLC6A9 (0.36) CCR1
SCHEMBL20522999 0.82 PRKDC (0.40) SMN1; SMN2MAPTHTTNPC1TSHR
SCHEMBL791178 0.82 ALDH1A1 (0.47) SMN1; SMN2MAPTHTTNPC1TSHR
SCHEMBL30748846 0.82 ALDH1A1 (0.47) SMN1; SMN2MAPTHTTNPC1TSHR
SCHEMBL14158793 0.78 HTT (0.42) SMN1; SMN2MAPTHTTNPC1AKR1C3
SCHEMBL578443 0.77 LIPG (0.44) HTTTSHRAKR1C3MEN1KMT2A
SCHEMBL11294977 0.77 CCR1 (0.46) SMN1; SMN2MAPTHTTNPC1ALOX15

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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA SMN1; SMN2 2487/4885MAPT 1571/4885HTT 3440/4885

“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.