SCHEMBL22800973

SCHEMBL22800973

Cc1ccc(C)c(CCN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ GPR119 Q8TDV5 2/20 0.44
▸ ACKR3 P25106 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL4502120 0.88 VEGFA (0.49) KMT2AMEN1TP53CHRM2CHRM4
SCHEMBL30262209 0.82 KMT2A (0.48) KMT2AMEN1TP53CHRM2CHRM4
SCHEMBL22800927 0.82 KMT2A (0.48) KMT2AMEN1TP53CHRM2CHRM4
SCHEMBL15265651 0.78 VEGFA (0.47) KMT2AMEN1TP53CHRM2CHRM4
SCHEMBL15567036 0.77 KMT2A (0.50) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL15265246 0.77 MGLL (0.48) KMT2AMEN1TP53CHRM2CHRM4
SCHEMBL5815688 0.77 KDM4E (0.55) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL5935719 0.76 GPR119 (0.52) KMT2AMEN1TP53GPR119LMNA
SCHEMBL15265005 0.76 MGLL (0.50) KMT2AMEN1TP53CHRM2CHRM4
SCHEMBL6620774 0.76 SIGMAR1 (0.47) KMT2AMEN1CHRM2CHRM4CHRM1

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 KMT2A 2568/4885MEN1 4456/4885TP53 4684/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS KMT2A 2568/4885MEN1 4456/4885TP53 4684/4885

“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.

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