SCHEMBL22210696

SCHEMBL22210696

CCCCCCN1Cc2ccccc2-c2c(nnn2C)-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
SLC9A1 P19634 4/20 0.40
CES1 P23141 2/20 0.37
CDC25A P30304 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR7 P34969 2/20 0.35
DRD2 P14416 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL22180487 0.95 SLC9A1 (0.38) ALDH1A1CYP2D6CYP2C19CYP1A2SLC9A1
SCHEMBL25812366 0.90 ALDH1A1 (0.39) ALDH1A1CYP2D6CYP2C19SLC9A1MEN1
SCHEMBL16984337 0.87 NPY5R (0.39) ALDH1A1CYP2D6CYP2C19SLC9A1MEN1
SCHEMBL20226549 0.85 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19CYP1A2SLC9A1
SCHEMBL23961907 0.81 SLC9A1 (0.46) ALDH1A1CYP2D6CYP2C19CYP1A2SLC9A1
SCHEMBL26502372 0.81 PARP1 (0.32) CYP2D6CYP2C19HTR7DRD2DRD5
SCHEMBL20998964 0.81 DRD2 (0.34) ALDH1A1CYP2D6CYP2C19CYP1A2SLC9A1
SCHEMBL26504972 0.80 SLC9A1 (0.45) ALDH1A1CYP2D6CYP2C19CYP1A2SLC9A1
SCHEMBL5449154 0.79 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19CYP1A2CES1
SCHEMBL16984175 0.79 SLC9A1 (0.34) ALDH1A1SLC9A1KMT2AKDM4ELMNA

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-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2021-02-11 US disclosed
US-10711032-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. (US) 2020-07-14 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 (3 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-10711032-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 ALDH1A1 4143/4885CYP2D6 4440/4885CYP2C19 4573/4885
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 ALDH1A1 4113/4885CYP2D6 4445/4885CYP2C19 4575/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 ALDH1A1 4113/4885CYP2D6 4445/4885CYP2C19 4575/4885

“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.