SCHEMBL14005977

SCHEMBL14005977

O=C(CCCCN1CCCCC1)Nc1cccc(-c2ccccc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ CHRNA7 P36544 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ IKBKB O14920 1/20 0.51
▸ CHUK O15111 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL14005978 0.88 CHRNA7 (0.62) ALDH1A1CHRNA7POLB
SCHEMBL14006035 0.88 CACNA1G (0.49) ALDH1A1
SCHEMBL14006101 0.87 CHRNA7 (0.60) ALDH1A1CHRNA7POLB
SCHEMBL14006028 0.86 CHRNA7 (0.53) ALDH1A1CHRNA7POLBIKBKBCHUK
SCHEMBL14006217 0.85 CHRNA3 (0.64) —
SCHEMBL14006214 0.85 CHRNA7 (0.51) ALDH1A1CHRNA7POLBIKBKBCHUK
SCHEMBL14006213 0.84 MAPK1 (0.53) ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL14005927 0.83 ALDH1A1 (0.81) ALDH1A1POLBSMN1; SMN2
SCHEMBL14005911 0.82 CHRNA7 (0.57) ALDH1A1CHRNA7POLBSMN1; SMN2
SCHEMBL14006005 0.82 CHRNA7 (0.57) ALDH1A1CHRNA7POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 — — US disclosed
US-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 — — US 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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof CHRNA7, CHRNA5, CHRNA1 ALDH1A1 2091/4885CHRNA7 1/4885POLB 4086/4885

“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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