SCHEMBL3842689

SCHEMBL3842689

COc1ccc2c(c1)c(CC(=O)N1CCN(c3ccccc3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.78
MEN1 O00255 2/20 0.78
CYP1A2 P05177 2/20 0.78
CYP2C9 P11712 2/20 0.78
PMP22 Q01453 2/20 0.78
KMT2A Q03164 2/20 0.78
PKM P14618 2/20 0.78
GMNN O75496 1/20 0.78
CYP3A4 P08684 1/20 0.78
TSHR P16473 1/20 0.78
NFKB1 P19838 1/20 0.78
CYP2C19 P33261 1/20 0.78
BLM P54132 1/20 0.78
LMNA P02545 2/20 0.75
NPSR1 Q6W5P4 2/20 0.75
PTGS2 P35354 12/20 0.69
PTGS1 P23219 3/20 0.69
AKR1C3 P42330 2/20 0.69
GLO1 Q04760 2/20 0.69
HIF1A Q16665 2/20 0.69

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
SCHEMBL13286994 0.88 LMNA (0.85) CNR2MEN1CYP1A2CYP2C9PMP22
SCHEMBL15934125 0.88 LMNA (0.82) CNR2MEN1CYP1A2CYP2C9PMP22
SCHEMBL861080 0.88 LMNA (0.82) CNR2MEN1CYP1A2CYP2C9PMP22
Indomethacin Morpholinylamide SCHEMBL29358919 0.88 CNR2 (1.00) CNR2MEN1CYP1A2CYP2C9PMP22
Indomethacin Morpholinylamide SCHEMBL8314320 0.88 CNR2 (1.00) CNR2MEN1CYP1A2CYP2C9PMP22
SCHEMBL5106421 0.87 PTGS2 (0.68) CNR2MEN1CYP1A2CYP2C9PMP22
SCHEMBL14139597 0.87 MEN1 (0.59) CNR2MEN1CYP1A2CYP2C9PMP22
SCHEMBL15932300 0.86 LMNA (0.78) CNR2MEN1CYP1A2CYP2C9PMP22
SCHEMBL13286940 0.86 CNR2 (0.80) CNR2MEN1CYP1A2CYP2C9PMP22
Indomethacin SCHEMBL28072579 0.83 PTGS2 (0.98) CNR2MEN1CYP1A2CYP2C9PMP22

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-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 US disclosed
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 US disclosed
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 US disclosed
EP-1773880-A4 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-09-09 EP disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 US disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 US disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 US disclosed
US-7414067-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-19 US disclosed
EP-1773880-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE Novartis Vaccines and Diagnostics, Inc. (US) 2007-04-18 EP disclosed
WO-2005121175-A9 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CHIRON CORP (US) 2006-03-16 WO disclosed
WO-2005121175-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2005-12-22 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-20080199492-A1 Env Polypeptide Complexes and Methods Of Use CD4, CD74, HAVCR2 CNR2 1943/4885MEN1 4501/4885CYP1A2 1523/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 CNR2 1943/4885MEN1 4501/4885CYP1A2 1523/4885

“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.