SCHEMBL20176845

SCHEMBL20176845

CN[C@H](Cc1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.62
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.51
FKBP1A P62942 1/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CTSS P25774 2/20 0.49
MEN1 O00255 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTSL P07711 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL16254296 1.00 MMP8 (0.62) MMP8MMP1MMP3ALDH1A1TSHR
SCHEMBL18435192 0.86 MMP8 (0.60) MMP8MMP1MMP3ALDH1A1TSHR
SCHEMBL16252288 0.86 MMP8 (0.60) MMP8MMP1MMP3ALDH1A1TSHR
SCHEMBL16254311 0.86 FPR2 (0.59) MMP1MMP3ALDH1A1TSHRHRH2
SCHEMBL7325333 0.84 MMP8 (0.57) MMP8MMP1MMP3ALDH1A1TSHR
SCHEMBL7317525 0.84 MMP8 (0.57) MMP8MMP1MMP3ALDH1A1TSHR
SCHEMBL7317522 0.84 MMP8 (0.57) MMP8MMP1MMP3ALDH1A1TSHR
SCHEMBL7319235 0.82 MMP8 (0.55) MMP8MMP1MMP3ALDH1A1TSHR
SCHEMBL7389781 0.82 MMP8 (0.55) MMP8MMP1MMP3ALDH1A1TSHR
SCHEMBL23879139 0.81 MEN1 (0.56) MMP8MMP1MMP3ALDH1A1FKBP1A

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-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 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-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA MMP8 1832/4885MMP1 1721/4885MMP3 2375/4885

“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.