SCHEMBL13780694

SCHEMBL13780694

O=C(O)CN1CCN(c2ccc(C3CCCCC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
S1PR1 P21453 1/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
ALOX15 P16050 1/20 0.48
GSK3B P49841 1/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HAO1 Q9UJM8 1/20 0.43

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
SCHEMBL27553730 0.81 USP2 (0.58) ALDH1A1NPC1USP2HPGDALOX15
SCHEMBL7735928 0.80 ALDH1A1 (0.71) ALDH1A1NPC1USP2HPGDMAPT
Bromide SCHEMBL7340063 0.79 USP2 (0.56) ALDH1A1NPC1USP2HPGDALOX15
Hydrochloric Acid SCHEMBL6538607 0.78 HTR2A (0.55) ALDH1A1NPC1USP2S1PR1ITGB3
SCHEMBL6539303 0.77 L3MBTL3 (0.48) ALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL1387857 0.77 ALDH1A1 (0.43) ALDH1A1NPC1USP2HPGDGSK3B
SCHEMBL6301694 0.76 MAPT (0.72) ALDH1A1USP2S1PR1ALOX15MAPT
SCHEMBL23816922 0.75 SLC18A3 (0.60) ALDH1A1
SCHEMBL13723844 0.75 MAPT (0.59) ALDH1A1NPC1USP2S1PR1ITGB3
SCHEMBL20271722 0.75 SMN1; SMN2 (0.68) ALDH1A1S1PR1MAPTGFERSMN1; SMN2

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 ALDH1A1 867/4885NPC1 1547/4885USP2 1734/4885

“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.