SCHEMBL3495191

SCHEMBL3495191

O=C(NOC1CCCCO1)c1ncc2c(ccn2Cc2ccc(F)cc2)c1CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
GRIN2B Q13224 1/20 0.35
FAAH O00519 1/20 0.35
EPHX2 P34913 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 1/20 0.33
TGFBR1 P36897 1/20 0.33
MAPT P10636 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
P2RX3 P56373 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL3494864 0.95 CNR2 (0.35) MAOBCNR2CNR1GRIN2BFAAH
SCHEMBL4965075 0.76 MAOB (0.36) MAOBCNR2CNR1GRIN2BL3MBTL1
SCHEMBL3495643 0.76 EGLN1 (0.43) MAOBCNR2MAPT
SCHEMBL3628450 0.75 GRM2 (0.33) CNR2CNR1FAAHL3MBTL1HPGD
SCHEMBL3628448 0.75 L3MBTL1 (0.36) CNR2CNR1GRIN2BFAAHL3MBTL1
SCHEMBL4807256 0.74 HDAC1 (0.44) MAOBCNR2CNR1
SCHEMBL3496597 0.71 CYP11B1 (0.46) MAOBCNR2TP53MAPT
SCHEMBL4962955 0.69 HRH3 (0.37) CNR2CNR1GRIN2BL3MBTL1MAPT
SCHEMBL3495171 0.69 HRH3 (0.37) CNR2CNR1GRIN2BFAAHL3MBTL1
SCHEMBL3496747 0.69 CYP11B1 (0.42) MAOBL3MBTL1HPGDMAPTKDM4E

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 11 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-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 EP 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 WO disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 WO 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 MAOB 979/4885CNR2 4853/4885CNR1 4739/4885
US-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MAOB 979/4885CNR2 4853/4885CNR1 4739/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP MAOB 979/4885CNR2 4853/4885CNR1 4739/4885

“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.