SCHEMBL8510771

SCHEMBL8510771

CNC(=O)c1cc(CN(C(=O)O)C2C3CN(c4ccc(-c5ccc(F)cc5)cn4)CC32)on1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.35
AOC3 Q16853 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.35
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 2/20 0.34
MCHR1 Q99705 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
RAB9A P51151 2/20 0.33
ENPP2 Q13822 2/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL8509738 0.89 L3MBTL1 (0.40) AOC3ALDH1A1KMT2AMCHR1L3MBTL1
SCHEMBL8509561 0.89 AOC3 (0.36) SCDAOC3KMT2AMCHR1L3MBTL1
SCHEMBL8512650 0.85 PDE10A (0.44) ALDH1A1MEN1KMT2ATHRBPDE2A
SCHEMBL9993127 0.85 RAB9A (0.34) SCDMEN1KMT2ATHRBMCHR1
SCHEMBL9994152 0.83 DGAT1 (0.37) SCDMCHR1HDAC3HDAC2KCNH2
SCHEMBL9993679 0.82 DGAT1 (0.35) SCDMCHR1EGLN1HDAC3HDAC2
SCHEMBL9993531 0.77 DGAT1 (0.34) SCDMCHR1KCNH2
SCHEMBL8511606 0.73 PDE10A (0.39) KMT2APDE2APDE10AHDAC3HDAC2
SCHEMBL9994518 0.73 DGAT1 (0.33) AOC3MCHR1L3MBTL1HDAC3HDAC2
SCHEMBL9993601 0.72 DGAT1 (0.38) HDAC3HDAC2KCNH2

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-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US claimed
US-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 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-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CA9, SCN9A, CCR9 SCD 3826/4885AOC3 1483/4885ALDH1A1 1651/4885

“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.