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SCHEMBL2080748

SCHEMBL2080748

CN(C)C(=O)C(=O)N1CCC2(C1)OCCn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.53
▸ KCNH2 Q12809 1/20 0.48
▸ KCNE1 P15382 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CALCA P06881 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ERCC1 P07992 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ERCC4 Q92889 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL2079884 0.95 CYP2C9 (0.54) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2080721 0.92 CYP2C9 (0.58) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL5580101 0.89 CYP2C9 (0.52) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2081504 0.89 KCNH2 (0.44) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2080832 0.86 KCNH2 (0.46) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2082922 0.85 KCNH2 (0.44) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2080829 0.85 CYP2C9 (0.46) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL5535031 0.85 CYP2C9 (0.55) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2079269 0.85 CYP2C9 (0.47) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2080739 0.84 KCNE1 (0.51) CYP2C9KCNH2KCNE1CCR1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US claimed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — US claimed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US disclosed
WO-2007143446-A1 SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-13 — — WO disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — 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-20070281917-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 CYP2C9 704/4885KCNH2 3170/4885KCNE1 4024/4885

“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.