SCHEMBL3494864

SCHEMBL3494864

O=C(NOC1CCCCO1)c1ncc2c(ccn2Cc2ccc(F)cc2)c1CCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.35
CNR1 P21554 4/20 0.35
FAAH O00519 1/20 0.35
TP53 P04637 2/20 0.34
MAOB P27338 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRIN2B Q13224 1/20 0.34
EPHX2 P34913 1/20 0.34
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 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
SCHEMBL3495191 0.95 MAOB (0.35) CNR2CNR1FAAHTP53MAOB
SCHEMBL4807256 0.80 HDAC1 (0.44) CNR2CNR1MAOBCYP11B1CYP11B2
SCHEMBL3496597 0.77 CYP11B1 (0.46) CNR2TP53MAOBCYP11B1CYP11B2
SCHEMBL3496747 0.75 CYP11B1 (0.42) MAOBCYP11B1CYP11B2KDM4EL3MBTL1
SCHEMBL4965075 0.72 MAOB (0.36) CNR2CNR1TP53MAOBCYP11B1
SCHEMBL3495643 0.71 EGLN1 (0.43) CNR2MAOBCYP11B1CYP11B2MAPT
SCHEMBL3628450 0.71 GRM2 (0.33) CNR2CNR1FAAHL3MBTL1HPGD
SCHEMBL3628448 0.71 L3MBTL1 (0.36) CNR2CNR1FAAHTP53GRIN2B
SCHEMBL4965274 0.69 HSP90AA1 (0.42) CNR2CNR1TP53MAOBCYP11B1
SCHEMBL14541609 0.69 POLB (0.41) CNR2CNR1MAOBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 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 (3 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP CNR2 4853/4885CNR1 4739/4885FAAH 3229/4885
US-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP CNR2 4853/4885CNR1 4739/4885FAAH 3229/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP CNR2 4853/4885CNR1 4739/4885FAAH 3229/4885

“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.