SCHEMBL3607180

SCHEMBL3607180

O=C(C=CN1CCCCC1)c1cc(-c2ccccc2F)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ NPC1 O15118 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ GRIN2B Q13224 2/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSP90AA1 P07900 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34

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
SCHEMBL3615285 0.83 HDAC6 (0.48) ALDH1A1NPC1MAPTUSP2MAPK1
SCHEMBL3603493 0.78 NPC1 (0.39) ALDH1A1NPC1MAPTLMNAHTR3A
SCHEMBL3603495 0.78 NPC1 (0.39) ALDH1A1NPC1MAPTLMNAHTR3A
SCHEMBL8171384 0.78 NPC1 (0.39) ALDH1A1NPC1MAPTLMNAHTR3A
SCHEMBL3170020 0.78 ESRRG (0.49) ALDH1A1NPC1MAPTUSP2MAPK1
SCHEMBL3607182 0.76 ALDH1A1 (0.53) ALDH1A1NPC1MAPTLMNARAB9A
SCHEMBL8164614 0.76 ALDH1A1 (0.53) ALDH1A1NPC1MAPTLMNARAB9A
SCHEMBL7079303 0.75 HDAC6 (0.45) ALDH1A1MAPTDHODHHDAC6MEN1
SCHEMBL3622049 0.75 APP (0.40) ALDH1A1NPC1MAPTUSP2MAPK1
SCHEMBL3613657 0.74 CES2 (0.46) ALDH1A1NPC1MAPTUSP2MAPK1

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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 — — 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
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 ALDH1A1 2657/4885NPC1 4260/4885MAPT 4745/4885
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA ALDH1A1 3405/4885NPC1 3008/4885MAPT 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.

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