SCHEMBL20809609

SCHEMBL20809609

CC(C)C(=O)OCCc1cncs1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
SLC6A3 Q01959 3/20 0.37
CYP3A4 P08684 2/20 0.37
HTT P42858 2/20 0.36
ACACB O00763 2/20 0.36
CTSK P43235 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL4095558 0.83 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL14162629 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL28905989 0.83 TDP1 (0.44) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL17080164 0.80 PARP15 (0.47) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL6302841 0.77 SLC6A3 (0.38) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL20809605 0.72 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2TDP1CYP3A4
SCHEMBL20809614 0.71 NAMPT (0.37) CYP3A4ACACB
SCHEMBL3505544 0.71 ALDH1A1 (0.36) LMNA
SCHEMBL27758216 0.71 DGKA (0.45) RAB9ANPC1SMN1; SMN2TDP1PARP15
SCHEMBL2095004 0.70 TRPM8 (0.36) RAB9ANPC1SMN1; SMN2TDP1LMNA

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-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-14 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 (2 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-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME GAP43, NCDN, NLN RAB9A 2653/4885NPC1 288/4885SMN1; SMN2 203/4885
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same GAP43, NCDN, NLN RAB9A 2653/4885NPC1 288/4885SMN1; SMN2 203/4885

“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.