SCHEMBL6505195

SCHEMBL6505195

CC(=O)N(C)Cc1nccn1-c1ccc2c(c1)CCN2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.45
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 3/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP3K11 Q16584 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33

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
SCHEMBL6606774 0.86 CYP11B2 (0.39) F10CYP11B2ALDH1A1ATMDRD2
SCHEMBL6506289 0.74 F10 (0.52) F10CYP11B2ALDH1A1GAA
SCHEMBL5626795 0.67 CYP11B2 (0.45) CYP11B2MAPTDRD2DRD4CYP2C9
SCHEMBL20761304 0.66 LMNA (0.46) MAPTTSHR
SCHEMBL5643734 0.64 F10 (0.38) F10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL1997957 0.64 CYP11B2 (0.44) CYP11B2ALDH1A1ATMGAAMAPT
SCHEMBL26683830 0.64 CRBN (0.47) CYP11B2MAPTDRD2DRD4MAP3K11
Tert-Butyl Formate SCHEMBL27656883 0.63 MAP3K11 (0.38) CYP11B2ALDH1A1DRD2DRD4CYP2C9
SCHEMBL5781311 0.63 ALDH1A1 (0.44) ALDH1A1ATMGAAMAPTTSHR
SCHEMBL5569005 0.62 NR4A1 (0.56) F10ALDH1A1MAPTPDE4APDE4B

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-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 F10 2/4885CYP11B2 3338/4885ALDH1A1 4288/4885

“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.