SCHEMBL6129186

SCHEMBL6129186

CC(C)(C)COC(=O)NCCc1nc(-c2ccccc2-c2ccccc2)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
IDO1 P14902 2/20 0.36
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
KDM6B O15054 1/20 0.34
FTO Q9C0B1 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
FAAH O00519 2/20 0.34
GOT1 P17174 1/20 0.34
BRS3 P32247 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX1 P07099 1/20 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
SCHEMBL1926753 0.89 FAAH (0.40) IDO1CDK4CCND1FAAHTRPV1
SCHEMBL6129187 0.85 LMNA (0.43) KDM6BFTOEGLN1KDM4CKDM5B
SCHEMBL1928300 0.79 FAAH (0.39) IDO1FAAHTRPV1HRH3
SCHEMBL14736334 0.78 IDO1 (0.51) IDO1
SCHEMBL6129189 0.78 NPC1 (0.51) CDK4CCND1EPHX1
SCHEMBL1927750 0.77 HDAC3 (0.46) FAAHTRPV1
SCHEMBL1928104 0.76 IDO1 (0.49) IDO1FAAH
SCHEMBL1928046 0.75 LTA4H (0.47) IDO1CDK4CCND1MTNR1AMTNR1B
SCHEMBL1928543 0.75 FAAH (0.40) FAAHTRPV1HRH3
SCHEMBL1928682 0.75 RAB9A (0.41) CDK4CCND1FAAHTRPV1HRH3

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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US claimed

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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 CNR2 22/4885IDO1 1766/4885CDK4 1031/4885

“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.