SCHEMBL4953428

SCHEMBL4953428

Nc1ccnn1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.78
▸ RAB9A P51151 9/20 0.44
▸ NPC1 O15118 8/20 0.44
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C18 P33260 1/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GFER P55789 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL433371 0.88 POLB (1.00) POLBRAB9ANPC1CYP2C19CYP2C8
SCHEMBL1491122 0.80 POLB (0.70) POLBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5907310 0.78 MAPK9 (0.56) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL4951229 0.76 POLB (0.64) POLBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1247688 0.76 POLB (0.64) POLBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1491089 0.76 POLB (0.64) POLBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1491115 0.76 POLB (0.64) POLBRAB9ANPC1CYP2C19CYP2C9
SCHEMBL1491136 0.75 POLB (0.69) POLBCYP2C19CYP2C9CYP2C18SMN1; SMN2
Hydrochloric Acid SCHEMBL11470266 0.74 POLB (0.62) POLBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL15912101 0.74 POLB (0.56) POLBMEN1KMT2ATSHRALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 — — EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 — — US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 — — EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 — — US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 — — WO 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 POLB 2569/4885RAB9A 2816/4885NPC1 1985/4885

“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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