SCHEMBL18355157

SCHEMBL18355157

CC(C)CCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 6/20 0.51
NPC1 O15118 2/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAOB P27338 4/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLS O94925 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TLR9 Q9NR96 1/20 0.46

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
SCHEMBL2743018 0.86 HPGD (0.61) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL8862940 0.84 GAA (0.60) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL8862856 0.84 GAA (0.60) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL7519591 0.84 GAA (0.60) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL8862746 0.84 GAA (0.60) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL29596524 0.83 KEAP1 (0.60) HPGDNPSR1MAOBSMN1; SMN2MAPT
SCHEMBL7524646 0.83 KEAP1 (0.60) HPGDNPSR1MAOBSMN1; SMN2MAPT
SCHEMBL24201134 0.83 SMN1; SMN2 (0.50) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL30274345 0.83 L3MBTL1 (0.53) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL25040676 0.83 L3MBTL1 (0.53) HPGDNPSR1RAB9ANPC1TSHR

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-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 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-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER NCOR1, RRP15, NCOA1 HPGD 2240/4885NPSR1 861/4885RAB9A 3639/4885

“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.