SCHEMBL62081

SCHEMBL62081

CCOC(=O)/C=C(\C(=O)OCC)N1CC2CC(C1)c1nc(C(=O)OCC)c(O)c(=O)n1C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
OGFRL1 Q5TC84 5/20 0.32
OPRM1 P35372 4/20 0.32
OPRK1 P41145 4/20 0.32
OPRD1 P41143 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL51875 1.00 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4OGFRL1
SCHEMBL51652 0.85 OGFRL1 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4OGFRL1
SCHEMBL51876 0.81
SCHEMBL61820 0.78 OGFRL1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4OGFRL1
SCHEMBL62910 0.78 OGFRL1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4OGFRL1
SCHEMBL51828 0.77 SMN1; SMN2 (0.37) OGFRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL51443 0.76 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL62529 0.73 ERCC1 (0.35) KDM4EMAPT
SCHEMBL51795 0.73 ERCC1 (0.35) KDM4EMAPT
SCHEMBL51796 0.73 ERCC1 (0.35) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CHRNB2 4393/4885CHRNB4 4428/4885CHRNA3 4043/4885

“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.