SCHEMBL345077

SCHEMBL345077

CCOC(=O)c1cc(COC(=O)NCC2(F)CCN(c3ccc4cc(Cl)ccc4n3)CC2)on1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
MCHR1 Q99705 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX7 Q99572 1/20 0.34
ACACB O00763 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPK10 P53779 1/20 0.33
P2RX3 P56373 1/20 0.33
GAA P10253 1/20 0.33
SLC26A6 Q9BXS9 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
SCHEMBL2327811 0.91 HRH3 (0.39) HTR3AHRH4HRH3MCHR1MRGPRX4
SCHEMBL345081 0.85 ACACB (0.41) HTR3AHRH4HRH3MCHR1MRGPRX4
SCHEMBL8512860 0.80 RAB9A (0.36) HRH3MAPTLMNARAB9AKCNH2
SCHEMBL8512858 0.80 RAB9A (0.36) HRH3MAPTLMNARAB9AKCNH2
SCHEMBL345783 0.78 RAB9A (0.39) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL345082 0.78 F10 (0.41) HTR3AHRH4HRH3MCHR1MRGPRX4
SCHEMBL344922 0.76 ADRB1 (0.38) MAPTRAB9AKCNH2MEN1KMT2A
SCHEMBL13260040 0.75 HRH3 (0.38) HTR3AHRH4HRH3MCHR1MAPT
SCHEMBL344703 0.75 HRH3 (0.41) HTR3AHRH4HRH3MCHR1KCNH2
SCHEMBL346185 0.75 PKM (0.42) MAPTLMNARAB9AMEN1KMT2A

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-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A HTR3A 2763/4885HRH4 72/4885HRH3 50/4885

“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.