SCHEMBL3183545

SCHEMBL3183545

Cc1nc(-c2ccccc2)ncc1CCC(=O)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
HPGD P15428 4/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.48
RAB9A P51151 5/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GRIN2B Q13224 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
STAT1 P42224 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
SCHEMBL3619918 0.73 ALDH1A1 (0.49) HPGDNPC1MAPTRAB9AKMT2A
SCHEMBL8181666 0.73 ALDH1A1 (0.49) HPGDNPC1MAPTRAB9AKMT2A
SCHEMBL791283 0.73 NPC1 (0.59) NAAAHPGDLMNANPC1TDP1
SCHEMBL18764366 0.72 SMN1; SMN2 (0.43) LMNANPC1MAPTRAB9AKMT2A
SCHEMBL11982021 0.72 SMN1; SMN2 (0.49) LMNANPC1MAPTRAB9AKMT2A
SCHEMBL10674388 0.71 CYP2C9 (0.55) NAAAHPGDNPC1TDP1MAPT
SCHEMBL10670717 0.71 NAAA (0.53) NAAAHPGDNPC1TDP1MAPT
SCHEMBL28035552 0.71 TKT (0.41) LMNANPC1MAPTRAB9AKMT2A
SCHEMBL120535 0.71 TKT (0.46) LMNANPC1MAPTRAB9AKMT2A
SCHEMBL10675293 0.70 NAAA (0.54) NAAAHPGDLMNANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 NAAA 718/4885HPGD 162/4885LMNA 2141/4885

“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.