SCHEMBL3173971

SCHEMBL3173971

O=C(CCc1ccc(-c2cccs2)s1)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.49
▸ NPC1 O15118 8/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ HPGD P15428 6/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ NR2E3 Q9Y5X4 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ ME2 P23368 1/20 0.44
▸ ME1 P48163 1/20 0.44
▸ ME3 Q16798 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ QPCT Q16769 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
SCHEMBL5796255 0.78 LTA4H (0.60) SCN9ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3164138 0.78 NPC1 (0.48) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL3163958 0.77 ME2 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL3164037 0.77 RAB9A (0.50) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL9002861 0.74 ALDH1A1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL13467158 0.72 DPP4 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL3179012 0.72 EPHX2 (0.46) ALDH1A1SMN1; SMN2HPGDDPP4ME2
SCHEMBL8781421 0.70 HTT (0.65) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4947647 0.70 HTT (0.65) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL8164603 0.70 ALDH1A1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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
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-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
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 SCN9A 3238/4885NPC1 2911/4885RAB9A 3124/4885

“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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