SCHEMBL3496747

SCHEMBL3496747

CCOC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.39
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.37
OPRD1 P41143 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL4805573 0.90 NPC1 (0.42) MAPTKDM4EPKMNPC1LMNA
SCHEMBL3496597 0.87 CYP11B1 (0.46) CYP11B1CYP11B2MAPTLMNARAB9A
SCHEMBL2881519 0.85 NPC1 (0.46) MAPTKDM4EPKMNPC1LMNA
SCHEMBL4807256 0.84 HDAC1 (0.44) CYP11B1CYP11B2RAB9AMAOB
SCHEMBL4805529 0.82 NPC1 (0.41) MAPTKDM4EPKMNPC1LMNA
SCHEMBL4803894 0.82 PDE4B (0.41) MAPTKDM4EPKMNPC1LMNA
SCHEMBL14541609 0.82 POLB (0.41) CYP11B1CYP11B2LMNAALDH1A1POLB
SCHEMBL4965274 0.82 HSP90AA1 (0.42) CYP11B1CYP11B2MAPTKDM4ELMNA
SCHEMBL3493411 0.82 MAPT (0.39) MAPTKDM4EPKMNPC1LMNA
SCHEMBL14533491 0.81 L3MBTL1 (0.43) CYP11B1CYP11B2MAPTKDM4EPKM

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 14 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
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 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
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 WO disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 US disclosed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 WO disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO 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 (4 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 CYP11B1 1207/4885CYP11B2 1727/4885MAPT 600/4885
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP CYP11B1 1207/4885CYP11B2 1727/4885MAPT 600/4885
US-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP CYP11B1 1207/4885CYP11B2 1727/4885MAPT 600/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP CYP11B1 1207/4885CYP11B2 1727/4885MAPT 600/4885

“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.