SCHEMBL8512944

SCHEMBL8512944

CCOC(=O)c1cc(COC(=O)NC2C3CN(C(=O)O)CC32)on1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
NPC1 O15118 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8510015 0.87 GABRA5 (0.39) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL8509620 0.84 NPC1 (0.38) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL9994844 0.82 ENPP2 (0.42) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL8509632 0.80 MEN1 (0.35) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL8509630 0.80 MEN1 (0.35) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL8509634 0.80 MEN1 (0.35) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL8513707 0.79 RAB9A (0.36) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL8513705 0.79 RAB9A (0.36) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL8513710 0.79 RAB9A (0.36) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL8512952 0.77 KMT2A (0.40) RAB9ANPC1KMT2AMEN1MAPT

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 64/4885NPC1 248/4885KMT2A 3634/4885

“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.