SCHEMBL3645472

SCHEMBL3645472

O=C(Nc1ncc[nH]1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR3C1 P04150 1/20 0.43
ACVRL1 P37023 2/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
GSK3B P49841 2/20 0.41
PLK4 O00444 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41

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
SCHEMBL21639971 0.86 CHKA (0.44) CHKASMN1; SMN2NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL21750354 0.85 CHKA (0.43) CHKASMN1; SMN2NPC1RAB9APOLB
SCHEMBL6735320 0.84 ROCK2 (0.44) CHKASMN1; SMN2NR3C1ROCK2GSK3B
SCHEMBL3434284 0.82 TNKS (0.49) CHKASMN1; SMN2CYP2D6ROCK2GSK3B
SCHEMBL12488082 0.79 CHKA (0.39) CHKASMN1; SMN2NR3C1RPS6KA3FDPS
SCHEMBL7342758 0.77 FDPS (0.48) NPC1RAB9ANR3C1FDPSFFAR2
SCHEMBL8819697 0.77 FDPS (0.48) NR3C1FDPSFFAR2
SCHEMBL170782 0.75
SCHEMBL241675 0.73
SCHEMBL1906545 0.73

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 CHKA 2174/4885SMN1; SMN2 4755/4885HPGD 182/4885

“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.