SCHEMBL551168

SCHEMBL551168

CC(=O)Nc1ccc2c(c1)CC/C(=C\C1CCCC1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOA P21397 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 1/20 0.42
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL551840 1.00 BAZ2B (0.54) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL551169 1.00 BAZ2B (0.54) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL14454769 0.80 NPC1 (0.57) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL5582649 0.80 NPC1 (0.57) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL5582652 0.80 NPC1 (0.57) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL5582762 0.80 NPC1 (0.56) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL5582666 0.79 NPC1 (0.56) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL30612407 0.79 NPC1 (0.56) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL30612402 0.79 NPC1 (0.56) BAZ2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL5582851 0.79 BAZ2B (0.57) BAZ2BNPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
EP-2089367-B1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-12-14 EP disclosed
EP-2089367-B1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-12-14 EP disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
EP-2089367-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2009-08-19 EP disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
WO-2008053300-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed
WO-2008053300-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-08 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-20120035131-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 BAZ2B 908/4885NPC1 1303/4885RAB9A 188/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 BAZ2B 908/4885NPC1 1303/4885RAB9A 188/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB BAZ2B 4339/4885NPC1 2108/4885RAB9A 1452/4885

“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.