SCHEMBL3606961

SCHEMBL3606961

O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1C1CC1C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.53
GPR17 Q13304 1/20 0.53
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LPAR2 Q9HBW0 1/20 0.44
CFD P00746 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL9732371 0.73 GRIN1 (0.67) GRIN1GPR17MAPTMEN1KMT2A
Gavestinel SCHEMBL30184856 0.70 GPR17 (1.00) GRIN1GPR17MAPTMEN1KMT2A
SCHEMBL9740602 0.70 GRIN1 (1.00) GRIN1GPR17MAPTMEN1KMT2A
Gavestinel SCHEMBL678632 0.70 GPR17 (1.00) GRIN1GPR17MAPTMEN1KMT2A
Gavestinel SCHEMBL1721070 0.70 GPR17 (1.00) GRIN1GPR17MAPTMEN1KMT2A
SCHEMBL9337522 0.70 GRIN1 (0.56) GRIN1GPR17MAPTMEN1KMT2A
Gavestinel SCHEMBL1995818 0.69 GPR17 (0.98) GRIN1GPR17MAPTMEN1KMT2A
Gavestinel SCHEMBL1995813 0.69 GPR17 (0.98) GRIN1GPR17MAPTMEN1KMT2A
Gavestinel SCHEMBL1995817 0.69 GPR17 (0.98) GRIN1GPR17MAPTMEN1KMT2A
SCHEMBL7549570 0.69 GRIN1 (0.52) GRIN1GPR17MAPTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 EP 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-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA GRIN1 1797/4885GPR17 812/4885MAPT 4866/4885

“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.