SCHEMBL4090835

SCHEMBL4090835

CCOC(=O)c1c(NC(=O)C2CCC(C)(C)C2(C)C)sc2c1CCOC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 9/20 0.53
MAPT P10636 5/20 0.53
CNR2 P34972 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 4/20 0.46
CNR1 P21554 1/20 0.46
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 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
SCHEMBL4080930 0.87 CNR2 (0.69) KMT2AALDH1A1MAPTCNR2LMNA
SCHEMBL4080680 0.86 PTPN1 (0.59) KMT2ACNR2CNR1
SCHEMBL5450569 0.84 KMT2A (0.69) KMT2AALDH1A1MAPTCNR2LMNA
SCHEMBL5460238 0.82 CNR2 (0.64) KMT2AALDH1A1MAPTCNR2LMNA
SCHEMBL5453100 0.82 CNR2 (0.67) KMT2AALDH1A1MAPTCNR2LMNA
SCHEMBL4091037 0.81 MAPT (0.50) KMT2AALDH1A1MAPTCNR2LMNA
SCHEMBL14300777 0.81 KMT2A (0.51) KMT2AALDH1A1MAPTCNR2LMNA
SCHEMBL4094543 0.81 CNR2 (0.66) KMT2AALDH1A1MAPTCNR2LMNA
SCHEMBL5450611 0.81 CNR2 (0.66) KMT2AALDH1A1MAPTCNR2LMNA
SCHEMBL5460524 0.80 ALDH1A1 (0.56) KMT2AALDH1A1MAPTCNR2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 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-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 KMT2A 2505/4885ALDH1A1 1504/4885MAPT 2527/4885

“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.