SCHEMBL8460600

SCHEMBL8460600

O=C(CNc1ccc(-c2ccccc2F)nc1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MALT1 Q9UDY8 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
DHODH Q02127 2/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PRMT3 O60678 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 SCHEMBL3174133 0.94 GRIN2B (0.46) GRIN2BRAB9ANPC1ALDH1A1MALT1
SCHEMBL8459936 0.82 ADRA2A (0.54) GRIN2BRAB9ANPC1ALDH1A1MAPT
SCHEMBL8446323 0.81 ADRA2A (0.53) GRIN2BRAB9ANPC1ALDH1A1GAA
SCHEMBL8451960 0.79 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1MAPTLMNA
Trifluoroacetic Acid SCHEMBL3174860 0.76 ADRA2A (0.49) GRIN2BRAB9ANPC1ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL3177374 0.76 DHODH (0.48) RAB9ANPC1ALDH1A1DHODHMAPT
Trifluoroacetic Acid SCHEMBL3179359 0.75 EGLN1 (0.48) GRIN2BRAB9ANPC1ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL3169886 0.74 PDK2 (0.51) GRIN2BRAB9ANPC1ALDH1A1MAPT
SCHEMBL5013538 0.74 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1MALT1CHRM2
SCHEMBL3177382 0.74 DHODH (0.43) DHODH

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 GRIN2B 2255/4885RAB9A 3124/4885NPC1 2911/4885

“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.