SCHEMBL3496597

SCHEMBL3496597

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
EGLN1 Q9GZT9 2/20 0.42
MAOB P27338 1/20 0.40
HTR6 P50406 1/20 0.39
MMP13 P45452 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
CNR2 P34972 1/20 0.36
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PTGER4 P35408 1/20 0.35

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
SCHEMBL3495643 0.93 EGLN1 (0.43) CYP11B1CYP11B2EGLN1MAOBHTR6
SCHEMBL4807256 0.89 HDAC1 (0.44) CYP11B1CYP11B2MAOBHTR6MMP13
SCHEMBL3496747 0.87 CYP11B1 (0.42) CYP11B1CYP11B2MAOBLMNASMN1; SMN2
SCHEMBL14541609 0.82 POLB (0.41) CYP11B1CYP11B2EGLN1MAOBLMNA
SCHEMBL4807840 0.82 EGLN1 (0.58) EGLN1MAOBLMNASMN1; SMN2RAB9A
SCHEMBL28771833 0.81 CYP11B1 (0.46) CYP11B1CYP11B2MAOBHTR6LMNA
SCHEMBL4803225 0.78 EGLN1 (0.43) CYP11B1CYP11B2EGLN1MAOBLMNA
SCHEMBL4965274 0.78 HSP90AA1 (0.42) CYP11B1CYP11B2MAOBLMNACNR2
SCHEMBL3494864 0.77 CNR2 (0.35) CYP11B1CYP11B2MAOBCNR2TP53
SCHEMBL14302884 0.77 TLR7 (0.34) EGLN1LMNAALDH1A1MAPT

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
CN-101287735-A Inhibitors of HIV integrase PFIZER PROD INC (US) 2008-10-15 CN 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-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 EP 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

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 CYP11B1 1207/4885CYP11B2 1727/4885EGLN1 3711/4885
US-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP CYP11B1 1207/4885CYP11B2 1727/4885EGLN1 3711/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP CYP11B1 1207/4885CYP11B2 1727/4885EGLN1 3711/4885

“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.