SCHEMBL3171849

SCHEMBL3171849

CC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3F)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 1/20 0.46
▸ ME1 P48163 1/20 0.46
▸ ME3 Q16798 1/20 0.46
▸ GLA P06280 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ GFER P55789 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3164350 0.91 KMT2A (0.49) ME2ME1ME3KMT2AMAPT
SCHEMBL3164138 0.88 NPC1 (0.48) ME2ME1ME3KMT2AMEN1
Trifluoroacetic Acid SCHEMBL3179313 0.85 ME2 (0.44) ME2ME1ME3KMT2AMAPT
SCHEMBL8469898 0.79 PARP1 (0.47) ME2ME1ME3KMT2AMEN1
SCHEMBL3173556 0.77 RPS6KB2 (0.53) KMT2AMEN1ALDH1A1HPGDL3MBTL1
SCHEMBL3164302 0.75 RPS6KB2 (0.58) LMNAHPGDL3MBTL1NPC1RAB9A
SCHEMBL9002461 0.74 FKBP1A (0.50) ME2ME1ME3KMT2AMAPT
SCHEMBL3177317 0.73 ME2 (0.46) ME2ME1ME3MAPTTSHR
SCHEMBL8446282 0.71 HTT (0.54) ME2ME1ME3KMT2AALDH1A1
SCHEMBL18711339 0.69 HDAC3 (0.52) MAPTALDH1A1L3MBTL1NPC1RAB9A

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 ME2 1009/4885ME1 1955/4885ME3 1048/4885

“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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