SCHEMBL22800905

SCHEMBL22800905

CC(C)(C)OC(=O)N1CCN(CCc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ACKR3 P25106 1/20 0.47
MAPT P10636 2/20 0.46
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2850833 0.88 KDM1A (0.48) SIGMAR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL4572803 0.87 SIGMAR1 (0.48) SIGMAR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2379018 0.87 THRB (0.52) SIGMAR1HRH2HRH1CHRM2CHRM4
SCHEMBL3708001 0.87 HTR2A (0.52) SIGMAR1HRH2HRH1CHRM2CHRM4
SCHEMBL3712707 0.86 MEN1 (0.59) SIGMAR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL23303996 0.85 CHRM2 (0.46) SIGMAR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL4832556 0.84 GPR119 (0.57) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL28400351 0.84 HDAC1 (0.51) SIGMAR1HRH1MAPTSMN1; SMN2MEN1
SCHEMBL4573720 0.83 KCNJ1 (0.65) SIGMAR1MAPTALDH1A1LMNA
SCHEMBL8699711 0.83 KMT2A (0.52) MAPTMEN1KMT2ACYP2C19HTT

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-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 US disclosed
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS OREGON HEALTH AND SCIENCE UNIVERSITY 2020-12-24 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 (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-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS XDH, PNP, MAVS SIGMAR1 89/4885HRH2 3886/4885HRH1 3675/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS SIGMAR1 89/4885HRH2 3886/4885HRH1 3675/4885

“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.