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SCHEMBL2082776

SCHEMBL2082776

CCOC(=O)N1CCC2(CC1)OCCn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KCNE1 P15382 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ OPRD1 P41143 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ CALCA P06881 1/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL2079269 0.94 CYP2C9 (0.47) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2081504 0.91 KCNH2 (0.44) CYP2C9KCNH2LMNAMAPK1L3MBTL1
SCHEMBL2080375 0.91 CYP2C9 (0.42) CYP2C9KCNH2LMNAL3MBTL1KCNE1
SCHEMBL2081100 0.89 CYP2C9 (0.50) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2080829 0.89 CYP2C9 (0.46) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2080832 0.88 KCNH2 (0.46) CYP2C9KCNH2L3MBTL1KCNE1CCR1
SCHEMBL5580101 0.88 CYP2C9 (0.52) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL3840235 0.87 KCNH2 (0.49) CYP2C9KCNH2LMNAKCNE1CCR1
SCHEMBL3836236 0.87 KCNH2 (0.49) CYP2C9KCNH2LMNAKCNE1CCR1
SCHEMBL5580069 0.87 CYP2C9 (0.45) CYP2C9KCNH2LMNAL3MBTL1KCNE1

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 3170/4885LMNA 947/4885

“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.