SCHEMBL3842434

SCHEMBL3842434

O=C(c1ccc2cc[nH]c2c1)N1CCN(C(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.65
MAPK14 Q16539 2/20 0.60
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RIPK1 Q13546 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.49
ENPP2 Q13822 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
SCHEMBL20765756 0.81 MAPK14 (0.72) GHSRMAPK14LMNAKDM4EALDH1A1
SCHEMBL17443852 0.81 GHSR (0.75) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL16002856 0.80 GHSR (0.69) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL1355458 0.79 GHSR (0.71) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL29944074 0.79 GHSR (0.71) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL14028477 0.79 GHSR (1.00) GHSRMAPK14HPGD
SCHEMBL3235960 0.78 GHSR (0.67) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL29990457 0.78 GHSR (0.67) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL143751 0.77 GHSR (0.65) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL31428636 0.77 GHSR (0.65) GHSRMAPK14KDM4EALDH1A1HSD17B10

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-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
EP-1773880-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE Novartis Vaccines and Diagnostics, Inc. (US) 2007-04-18 EP 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 GHSR 3636/4885MAPK14 2202/4885LMNA 4015/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 GHSR 3636/4885MAPK14 2202/4885LMNA 4015/4885

“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.