SCHEMBL8469898

SCHEMBL8469898

O=C1CN(C(=O)CCc2ccc(-c3ccccc3F)s2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TSHR P16473 1/20 0.41
▸ ME2 P23368 1/20 0.39
▸ ME1 P48163 1/20 0.39
▸ ME3 Q16798 1/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL3180889 0.83 PARP1 (0.44) PARP1L3MBTL1TSHRME2ME1
SCHEMBL3164138 0.81 NPC1 (0.48) ME2ME1ME3RAB9ANPC1
SCHEMBL3171849 0.79 ME2 (0.46) L3MBTL1TSHRME2ME1ME3
SCHEMBL3164350 0.79 KMT2A (0.49) L3MBTL1TSHRME2ME1ME3
SCHEMBL3174087 0.76 RAB9A (0.47) PARP1L3MBTL1RAB9ANPC1KMT2A
SCHEMBL3174082 0.76 RAB9A (0.47) PARP1L3MBTL1RAB9ANPC1KMT2A
SCHEMBL11806229 0.73 PARP1 (0.62) PARP1L3MBTL1TSHRME2ME1
SCHEMBL3173556 0.73 RPS6KB2 (0.53) L3MBTL1RAB9ANPC1KMT2AMEN1
SCHEMBL3164302 0.69 RPS6KB2 (0.58) L3MBTL1RAB9ANPC1
SCHEMBL23272135 0.66 DPP4 (0.55) PARP1L3MBTL1TSHRKMT2APARP2

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 6 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
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

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 PARP1 2206/4885L3MBTL1 4350/4885TSHR 991/4885

“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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