SCHEMBL8512858

SCHEMBL8512858

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE10A Q9Y233 3/20 0.34
PDE2A O00408 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALPL P05186 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
SCHEMBL8512860 1.00 RAB9A (0.36) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL8512952 0.84 KMT2A (0.40) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL9993048 0.82 MEN1 (0.41) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL345077 0.80 HTR3A (0.39) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL8513705 0.80 RAB9A (0.36) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8513707 0.80 RAB9A (0.36) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8513710 0.80 RAB9A (0.36) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL16174479 0.79 HRH3 (0.41) PDE10APDE2AHRH3HCRTR1HCRTR2
SCHEMBL16174478 0.79 HRH3 (0.41) PDE10APDE2AHRH3HCRTR1HCRTR2
SCHEMBL8512521 0.78 MAPT (0.36) RAB9ANPC1MEN1KMT2AMAPT

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-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 RAB9A 64/4885TSHR 268/4885NPC1 248/4885

“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.