SCHEMBL8461306

SCHEMBL8461306

O=C(CCc1ccc(-c2cccc(F)c2)nc1)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
GRIN2B Q13224 3/20 0.49
PRCP P42785 1/20 0.48
HPGDS O60760 1/20 0.47
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP11B1 P15538 1/20 0.47
WNT3A P56704 3/20 0.46

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
Trifluoroacetic Acid SCHEMBL3169897 0.94 NAAA (0.49) NAAAGRIN2BPRCPHPGDSCYP4F2
SCHEMBL3169576 0.76 NPC1 (0.55) NAAANPC1TDP1
SCHEMBL25986130 0.76 RAB9A (0.59) NAAANPC1
SCHEMBL8469978 0.74 DCK (0.53) NAAACYP4F2CYP4A11NPC1TDP1
SCHEMBL13900106 0.73 NPC1 (0.68) NAAANPC1TDP1
Trifluoroacetic Acid SCHEMBL3171571 0.73 NPC1 (0.50) NAAAGRIN2BNPC1TDP1CYP11B1
SCHEMBL31716043 0.73 WNT3A (0.60) HPGDSCYP11B1WNT3A
SCHEMBL9988389 0.72 ALOX5 (0.56) NAAANPC1TDP1
SCHEMBL9988350 0.71 ALOX5 (0.56) NAAAGRIN2BNPC1TDP1
SCHEMBL13187022 0.71 WNT3A (0.82) NPC1WNT3A

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 NAAA 718/4885GRIN2B 2255/4885PRCP 2685/4885

“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.