SCHEMBL5834700

SCHEMBL5834700

NC(C[CH]CCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.41
SCN4A P35499 4/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
EPHX1 P07099 1/20 0.38
KCNH2 Q12809 1/20 0.37
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL18321215 0.82 KCNH2 (0.44) CYP2A6HTR2ASMN1; SMN2TAAR1LOXL2
SCHEMBL6956035 0.78 TAAR1 (0.44) TAAR1
SCHEMBL8325538 0.76 SCN4A (0.40) SCN4AHTR2ASMN1; SMN2DPP4
SCHEMBL205556 0.75 ALDH1A1 (0.52) CYP2A6HTR2ASMN1; SMN2TAAR1LOXL2
SCHEMBL392681 0.75 AOC3 (0.43)
SCHEMBL8067078 0.74 ANPEP (0.50) SCN4ACYP2A6HTR2ASMN1; SMN2TAAR1
SCHEMBL855071 0.74 ANPEP (0.50) SCN4ACYP2A6HTR2ASMN1; SMN2TAAR1
SCHEMBL5924988 0.74 ANPEP (0.50) SCN4ACYP2A6HTR2ASMN1; SMN2TAAR1
SCHEMBL7597898 0.74 KCNH2 (0.42) GRIK1HTR2AKCNH2
SCHEMBL7844501 0.73 KCNH2 (0.52) HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056935-B2 Rotamase enzyme activity inhibitors GPI NIL HOLDINGS, INC. (US) 2006-06-06 US disclosed
US-20020052410-A1 Administering to the animal suffering from neurological disorders an amide compound having an affinity for FKBP-type immunophilins GLIAMED, INC. 2002-05-02 US disclosed
US-20020042377-A1 Rotamase enzyme activity inhibitors GUILFORD PHARMACEUTICALS INC. 2002-04-11 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 (2 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-20020052410-A1 Administering to the animal suffering from neurological disorders an amide compound having an affinity for FKBP-type immunophilins FKBP14, FKBP1A, FKBP2 GRIK1 1186/4885SCN4A 1042/4885CYP2A6 4204/4885
US-20020042377-A1 Rotamase enzyme activity inhibitors BDNF, FKBP1A, FKBP14 GRIK1 872/4885SCN4A 3619/4885CYP2A6 2302/4885

“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.