SCHEMBL13780698

SCHEMBL13780698

O=C(O)CN1CCN(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
S1PR1 P21453 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SLC6A7 Q99884 2/20 0.54
POLB P06746 2/20 0.54
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
REV1 Q9UBZ9 1/20 0.52
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51

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
SCHEMBL6301694 0.90 MAPT (0.72) MAPTALDH1A1S1PR1MEN1KMT2A
Hydrochloric Acid SCHEMBL1374296 0.88 MAPT (0.70) MAPTALDH1A1S1PR1MEN1KMT2A
SCHEMBL13234976 0.83 MAPT (0.67) GAAMAPTALDH1A1S1PR1MEN1
SCHEMBL7358257 0.82 ITGB3 (0.71) S1PR1ALOX15
SCHEMBL2881604 0.81 MAPT (0.66) GAAMAPTALDH1A1S1PR1MEN1
SCHEMBL26373091 0.81 S1PR1 (0.61) GAAMAPTALDH1A1S1PR1MEN1
SCHEMBL5114345 0.81 REV1 (0.65) GAAMAPTALDH1A1S1PR1MEN1
SCHEMBL13723844 0.81 MAPT (0.59) GAAMAPTALDH1A1S1PR1MEN1
SCHEMBL20271722 0.81 SMN1; SMN2 (0.68) MAPTALDH1A1S1PR1MEN1KMT2A
SCHEMBL26623128 0.80 FAAH (0.61) GAAMAPTALDH1A1MEN1KMT2A

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-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 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 (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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 GAA 42/4885MAPT 4699/4885ALDH1A1 867/4885

“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.