SCHEMBL14306907

SCHEMBL14306907

CCCCOc1ccc2c(c1)N(Sc1ccc(Cl)cc1)C(C)c1cn[nH]c1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 12/20 0.51
▸ PSEN2 P49810 12/20 0.51
▸ APH1B Q8WW43 12/20 0.51
▸ NCSTN Q92542 12/20 0.51
▸ APH1A Q96BI3 12/20 0.51
▸ PSENEN Q9NZ42 12/20 0.51
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ GCGR P47871 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL3790721 0.60 NPC1 (0.61) MEN1KMT2ACYP3A4CYP2D6SMN1; SMN2
Nitrogen SCHEMBL4600304 0.59 ALDH1A1 (0.43) MEN1KMT2ANPSR1MAPTGCGR
SCHEMBL8944218 0.58 KMT2A (0.43) MEN1KMT2ANPSR1MAPTGCGR
SCHEMBL6907235 0.57 NR5A1 (0.62) SMN1; SMN2
Butyl Chloride SCHEMBL9704868 0.56 NPC1 (0.56) MEN1KMT2ACYP3A4CYP2D6SMN1; SMN2
Dimethylamine SCHEMBL3444887 0.56 DRD4 (0.56) MEN1KMT2ACYP3A4CYP2D6SMN1; SMN2
SCHEMBL5599322 0.56 NR5A1 (0.66) MAPTALOX15LMNASMN1; SMN2
SCHEMBL11662072 0.56 NR5A1 (0.66) MAPTALOX15LMNASMN1; SMN2
SCHEMBL6122097 0.56 NR5A1 (0.66) MAPTALOX15LMNASMN1; SMN2
SCHEMBL14129989 0.56 CYP2D6 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 — — 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 7/4885APH1B 6/4885

“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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