SCHEMBL3603831

SCHEMBL3603831

CN(C)C(=O)C=Cc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 1/20 0.43
APP P05067 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
DHODH Q02127 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
KCNH2 Q12809 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39

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
SCHEMBL3603828 1.00 CYP11B1 (0.43) CYP11B1CYP11B2APPCYP4F2CYP4A11
SCHEMBL3610428 0.84 P4HTM (0.51) CYP11B1CYP11B2DHODHNPC1RAB9A
SCHEMBL3610427 0.84 P4HTM (0.51) CYP11B1CYP11B2DHODHNPC1RAB9A
SCHEMBL3652508 0.83 NPC1 (0.44) CYP11B1CYP11B2DHODHNPC1RAB9A
SCHEMBL3652506 0.83 NPC1 (0.44) CYP11B1CYP11B2DHODHNPC1RAB9A
Hydrochloric Acid SCHEMBL3615276 0.82 CYP11B1 (0.41) CYP11B1CYP11B2DHODHNPC1MLNR
Hydrochloric Acid SCHEMBL3615277 0.82 CYP11B1 (0.41) CYP11B1CYP11B2DHODHNPC1MLNR
SCHEMBL3174142 0.80 CA12 (0.50) CYP11B1CYP11B2DHODHNPC1RAB9A
SCHEMBL3174149 0.80 CA12 (0.50) CYP11B1CYP11B2DHODHNPC1RAB9A
SCHEMBL13545684 0.79 LTB4R (0.42) CYP11B1CYP11B2DHODHNPC1MLNR

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 11 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-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US 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
US-20100016272-A1 HETEROARYLACRYLAMIDES 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
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 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
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 WO 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 (2 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 CYP11B1 35/4885CYP11B2 89/4885APP 3893/4885
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA CYP11B1 93/4885CYP11B2 121/4885APP 3537/4885

“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.