SCHEMBL4518449

SCHEMBL4518449

CON(CCC(C)C)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
CASR P41180 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL3038951 0.80 HPGD (0.44) MAPTHPGDALDH1A1TSHRNAMPT
SCHEMBL6207340 0.80 HPGD (0.51) HTTNPC1MAPTMAPK1RAB9A
SCHEMBL16941093 0.78 NAMPT (0.56) HTTNPC1MAPTMAPK1RAB9A
SCHEMBL28557449 0.77 HPGD (0.47) NPC1RAB9AHPGDALDH1A1
SCHEMBL23791942 0.77 HTR1A (0.46) HTTNPC1MAPTMAPK1RAB9A
SCHEMBL2796840 0.76 TSHR (0.44) MAPTMAPK1HPGDALDH1A1TSHR
SCHEMBL1004360 0.75 MLYCD (0.62) MAPTLPAR1LPAR5HPGDALDH1A1
SCHEMBL8806252 0.75 HPGD (0.47) HTTNPC1MAPTMAPK1RAB9A
SCHEMBL14087384 0.75 ADRA2C (0.59) HTTNPC1MAPTMAPK1RAB9A
SCHEMBL28716329 0.75 KMT2A (0.51) TSHRMEN1KMT2A

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-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT HTT 167/4885NPC1 448/4885MAPT 236/4885

“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.