SCHEMBL8511709

SCHEMBL8511709

O=C(O)N(Cc1cscn1)[C@@H]1C[C@@H]2CN(c3ccc4cc(F)ccc4n3)C[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.39
PDE2A O00408 3/20 0.37
AGTR2 P50052 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HCRTR1 O43613 6/20 0.34
HCRTR2 O43614 6/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
CYP3A4 P08684 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
OPRL1 P41146 1/20 0.32
ALOX5 P09917 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
SCHEMBL8511717 1.00 PDE10A (0.39) PDE10APDE2AAGTR2HRH3HCRTR1
SCHEMBL9993584 0.84 HRH3 (0.39) PDE10APDE2AAGTR2HRH3HDAC3
SCHEMBL8510765 0.79 GRIN2B (0.45) AGTR2HRH3HCRTR1HCRTR2
SCHEMBL8510762 0.79 GRIN2B (0.45) AGTR2HRH3HCRTR1HCRTR2
SCHEMBL8509517 0.71 AGTR2 (0.37) AGTR2CYP3A4ALOX5
SCHEMBL8509515 0.71 AGTR2 (0.37) AGTR2CYP3A4ALOX5
SCHEMBL8509251 0.70 GRM1 (0.36) AGTR2HCRTR1HCRTR2
SCHEMBL8509249 0.70 GRM1 (0.36) AGTR2HCRTR1HCRTR2
SCHEMBL345346 0.68 HRH3 (0.47) PDE10APDE2AHRH3HDAC3HDAC2
SCHEMBL8510014 0.67 GRIN2B (0.43) AGTR2HCRTR1HCRTR2

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 5 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
EP-2429998-B1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-11-27 EP 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 2609/4885AGTR2 489/4885

“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.