SCHEMBL20364802

SCHEMBL20364802

CC(C)CC(=O)N1CC2CN(C(C)C)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
LIPE Q05469 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL25504806 0.84 SMN1; SMN2 (0.52) SMN1; SMN2POLBNPSR1L3MBTL1HDAC1
SCHEMBL18375023 0.83 CHRNB2 (0.38) SMN1; SMN2POLBNPSR1L3MBTL1HDAC1
SCHEMBL16132851 0.80 TLR9 (0.38) SMN1; SMN2POLBNPSR1L3MBTL1CHRNB2
SCHEMBL1463933 0.79 CHRNB2 (0.65) SMN1; SMN2POLBNPSR1L3MBTL1CHRNB2
SCHEMBL24309126 0.78 CHRNB2 (0.52) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19104799 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1HDAC1
SCHEMBL15490020 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1ALDH1A1
SCHEMBL25075396 0.78 CHRNB2 (0.52) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL24974012 0.78 SMN1; SMN2 (0.59) SMN1; SMN2POLBNPSR1L3MBTL1CHRNB2
SCHEMBL16132848 0.78 CHRNB2 (0.52) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2019-09-24 US disclosed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 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-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 SMN1; SMN2 1390/4885POLB 874/4885NPSR1 1149/4885
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase HDAC2, HDAC1, HDAC5 SMN1; SMN2 1390/4885POLB 874/4885NPSR1 1149/4885

“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.