SCHEMBL2884381

SCHEMBL2884381

O=C(O)c1ccccc1Cn1cnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.60
CYP11B2 P19099 5/20 0.60
TNF P01375 2/20 0.58
EGLN3 Q9H6Z9 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
AGER Q15109 1/20 0.55
APAF1 O14727 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BRD4 O60885 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL23781850 0.89 CYP11B1 (0.55) CYP11B1CYP11B2TNFEGLN3HRH3
SCHEMBL4359829 0.87 CYP11B1 (0.58) CYP11B1CYP11B2TNFEGLN3HRH3
SCHEMBL4142913 0.82 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1ALDH1A1
Hydrochloric Acid SCHEMBL31253891 0.81 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1ALDH1A1
Bromide SCHEMBL31253900 0.81 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1ALDH1A1
SCHEMBL8396472 0.79 CYP11B1 (0.67) CYP11B1CYP11B2TNFHDAC1HDAC6
SCHEMBL8618130 0.78 CYP11B1 (0.67) CYP11B1CYP11B2TNFEGLN3TDP1
SCHEMBL1750364 0.77 HDAC1 (0.73) CYP11B1CYP11B2TNFEGLN3HRH3
SCHEMBL20550865 0.76 CYP11B1 (0.69) CYP11B1CYP11B2TNFTDP1ALDH1A1
SCHEMBL2885662 0.76 CYP11B1 (0.67) CYP11B1CYP11B2TNFHRH3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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 (1 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 CYP11B1 2856/4885CYP11B2 2197/4885TNF 4166/4885

“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.