SCHEMBL4999929

SCHEMBL4999929

COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
TSHR P16473 1/20 1.00
ALDH1A1 P00352 8/20 0.81
LMNA P02545 4/20 0.81
KMT2A Q03164 6/20 0.68
MAPT P10636 6/20 0.68
MEN1 O00255 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RGS12 O14924 1/20 0.59
ALOX15 P16050 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA2A P08913 1/20 0.55
DRD2 P14416 1/20 0.55
ADRA2B P18089 1/20 0.55
DRD3 P35462 1/20 0.55
NPC1 O15118 1/20 0.54
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL7775626 0.77 HTR1A (0.77) POLBTSHRALDH1A1KMT2AMAPT
SCHEMBL11822249 0.76 MEN1 (0.61) POLBTSHRKMT2AMEN1ADRA2A
SCHEMBL5796448 0.75 KDM4E (0.70) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL11829657 0.75 TACR1 (0.73) POLBTSHRLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL1375643 0.74 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTMEN1DRD2
SCHEMBL4171468 0.74 ALDH1A1 (0.65) POLBTSHRALDH1A1KMT2AMAPT
SCHEMBL4171472 0.74 KDM4E (0.65) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL11829668 0.74 MEN1 (0.64) POLBTSHRALDH1A1LMNAKMT2A
SCHEMBL31419974 0.73 NSD2 (0.69) POLBTSHRALDH1A1LMNAKMT2A
SCHEMBL25408131 0.73 PKM (0.65) POLBTSHRALDH1A1KMT2AMAPT

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-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
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

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 POLB 3936/4885TSHR 3875/4885ALDH1A1 4880/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 POLB 3936/4885TSHR 3875/4885ALDH1A1 4880/4885

“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.