SCHEMBL8512952

SCHEMBL8512952

CCOC(=O)c1cc(COC(=O)NC2C3CN(c4ccc5cc(F)ccc5n4)CC32)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 1/20 0.39
RAB9A P51151 5/20 0.39
HDAC3 O15379 1/20 0.39
CYP3A4 P08684 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NPC1 O15118 3/20 0.38
PDE10A Q9Y233 4/20 0.37
PDE2A O00408 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL753832 0.90 HDAC3 (0.41) KMT2AMEN1RAB9AHDAC3CYP3A4
SCHEMBL9993048 0.86 MEN1 (0.41) KMT2AMEN1TSHRRAB9ANPC1
SCHEMBL8512363 0.85 KMT2A (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8512860 0.84 RAB9A (0.36) KMT2AMEN1TSHRRAB9ANPC1
SCHEMBL8512858 0.84 RAB9A (0.36) KMT2AMEN1TSHRRAB9ANPC1
SCHEMBL8512944 0.77 RAB9A (0.38) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL15654480 0.75 ENPP2 (0.39) KMT2AMEN1RAB9ANPC1PDE10A
SCHEMBL9994849 0.75 MEN1 (0.40) KMT2AMEN1RAB9ANPC1PDE10A
SCHEMBL3477140 0.75 HDAC3 (0.47) HDAC3CYP3A4HDAC4HDAC1HDAC7
SCHEMBL13259948 0.74 PDE2A (0.40) KMT2AMEN1RAB9AHDAC3HDAC2

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 KMT2A 3634/4885MEN1 808/4885TSHR 268/4885

“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.