SCHEMBL5843263

SCHEMBL5843263

CCCCNc1cc(C)nc(N(CC)c2c(C)cc(C)cc2C)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CRHR1 P34998 1/20 0.37
NR4A2 P43354 1/20 0.37
POLB P06746 2/20 0.36
HCAR3 P49019 2/20 0.36
PKM P14618 1/20 0.36
KAT2B Q92831 2/20 0.35
GAA P10253 1/20 0.35
RIPK1 Q13546 3/20 0.34
HPGD P15428 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8123459 0.75 LMNA (0.43) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7480289 0.72 NR4A2 (0.45) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7480441 0.71 NR4A2 (0.44) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL6429243 0.69 CRHR1 (0.50) TDP1CRHR1TLR8
SCHEMBL10681331 0.67 MAPT (0.38) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8123311 0.67 MAPT (0.40) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8873488 0.66 L3MBTL1 (0.44) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL9694131 0.65 LMNA (0.47) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL14334902 0.64 MAPT (0.60) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL29959789 0.64 MAPT (0.60) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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 (2 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 MAPT 2253/4885L3MBTL1 1827/4885ALDH1A1 4505/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 MAPT 1457/4885L3MBTL1 3243/4885ALDH1A1 4423/4885

“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.