SCHEMBL14006227

SCHEMBL14006227

CCCCOc1ccc(NC(=O)CCCCN2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.65
▸ MAPK1 P28482 3/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CHRM2 P08172 1/20 0.64
▸ CHRM1 P11229 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ SCN1A P35498 1/20 0.64
▸ HTR2B P41595 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ SCN2A Q99250 1/20 0.64
▸ SIGMAR1 Q99720 1/20 0.64
▸ SCN3A Q9NY46 1/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.64
▸ MAPT P10636 4/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ LMNA P02545 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ CA1 P00915 1/20 0.62

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
SCHEMBL9505612 0.93 THRB (0.63) EPHX2MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL14006223 0.90 LMNA (0.68) ALDH1A1CYP1A2CHRM2HTR2AKCNH2
SCHEMBL10627 0.89 EPHX2 (0.66) EPHX2MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL14006202 0.88 LMNA (0.70) EPHX2ALDH1A1CYP1A2CHRM2HTR2A
SCHEMBL14006288 0.88 LMNA (0.70) EPHX2ALDH1A1CYP1A2CHRM2HTR2A
SCHEMBL14006284 0.88 EPHX2 (0.60) EPHX2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL14006285 0.85 EPHX2 (0.62) EPHX2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL10378 0.85 LIPE (0.58) EPHX2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL14006291 0.82 EPHX2 (0.58) EPHX2ALDH1A1KCNH2MAPTL3MBTL1
SCHEMBL4369662 0.81 ALDH1A1 (0.63) EPHX2MAPK1ALDH1A1CYP1A2CHRM2

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 EPHX2 777/4885MAPK1 1753/4885ALDH1A1 2091/4885

“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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