SCHEMBL8510068

SCHEMBL8510068

CNC(=O)c1cc(CN(C[C@@H]2C[C@@H]3CN(c4ccc5cc(F)ccc5n4)C[C@@H]3C2)C(=O)O)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.42
PDE2A O00408 7/20 0.42
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 1/20 0.32
CYP3A4 P08684 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL8510075 1.00 PDE10A (0.42) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL9992776 0.85 PDE10A (0.40) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL9994153 0.84 PDE10A (0.38) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL8512650 0.83 PDE10A (0.44) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL9994931 0.78 PDE10A (0.39) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL9993380 0.77 PDE10A (0.40) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL8509868 0.76 PDE10A (0.36) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL8509871 0.76 PDE10A (0.36) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL9993658 0.76 HRH3 (0.38) PDE10APDE2AHRH3HTR1AHDAC6
SCHEMBL8510755 0.75 AOC3 (0.35) RAB9AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865738-B2 5-membered heterocyclic compound cyclopenta[C]pyrrolylalkylcarbamate derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2014-10-21 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 claimed
US-8865738-B2 5-membered heterocyclic compound cyclopenta[C]pyrrolylalkylcarbamate derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2014-10-21 US disclosed
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 PDE10A 1100/4885PDE2A 2609/4885HDAC3 119/4885

“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.