SCHEMBL5705160

SCHEMBL5705160

CC(C)(C)OC(=O)N1CCC(c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
HTR6 P50406 2/20 0.44
DRD2 P14416 1/20 0.44
HRH2 P25021 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
YES1 P07947 1/20 0.42

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
SCHEMBL5705118 0.87 SLC2A1 (0.56) SLC2A1ALDH1A1MAPTLMNAKMT2A
SCHEMBL6133467 0.86 GPR119 (0.54) SLC2A1HDAC1HDAC6HDAC3HDAC2
SCHEMBL27322905 0.77 SCN9A (0.50) MAPTKMT2ASMN1; SMN2JAK3SCN9A
SCHEMBL558066 0.76 SCN9A (0.61) MAPTKMT2ASCN9ACHRM2CHRM4
SCHEMBL14181452 0.76 SLC2A1 (0.57) SLC2A1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5705173 0.76 SCN9A (0.46) ALDH1A1MAPTLMNAKMT2AHRH2
SCHEMBL19268020 0.75 GPR119 (0.51) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6133175 0.75 SCN9A (0.46) ALDH1A1MAPTLMNASMN1; SMN2HTR6
SCHEMBL4736392 0.75 MAPT (0.65) ALDH1A1MAPTLMNA
SCHEMBL4773795 0.74 LMNA (0.61) SLC2A1ALDH1A1MAPTLMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 SLC2A1 1374/4885ALDH1A1 885/4885MAPT 4269/4885

“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.