SCHEMBL8795012

SCHEMBL8795012

CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CHRM1 P11229 1/20 0.74
MAOA P21397 1/20 0.74
TBXA2R P21731 1/20 0.74
OPRM1 P35372 1/20 0.74
MDH1 P40925 1/20 0.74
KCNH2 Q12809 1/20 0.74
ABCG2 Q9UNQ0 1/20 0.74
HRH4 Q9H3N8 6/20 0.56
HRH3 Q9Y5N1 1/20 0.45
SYK P43405 5/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL18326508 0.90 ADRA2A (0.75) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL14440008 0.89 ADRA2A (0.73) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8924496 0.88 ADRA2A (0.58) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL12423824 0.86 OPRM1 (0.70) ADRA2AADORA3CHRM1MAOATBXA2R
Delavirdine SCHEMBL29602259 0.85 ADRA2A (1.00) ADRA2AADORA3CHRM1MAOATBXA2R
Delavirdine SCHEMBL34420 0.85 ADRA2A (1.00) ADRA2AADORA3CHRM1MAOATBXA2R
Delavirdine SCHEMBL29714124 0.85 ADRA2A (1.00) ADRA2AADORA3CHRM1MAOATBXA2R
Delavirdine SCHEMBL30803764 0.85 ADRA2A (1.00) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL29683747 0.85 ADRA2A (0.75) ADRA2AADORA3CHRM1MAOATBXA2R
Delavirdine SCHEMBL29585604 0.85 ADRA2A (0.98) ADRA2AADORA3CHRM1MAOATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9421204-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-08-23 US disclosed
US-9421204-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-08-23 US disclosed
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS 2016-05-26 US disclosed
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS 2016-05-26 US disclosed
US-9226970-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-01-05 US disclosed
US-9226970-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-01-05 US disclosed
US-20130040961-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS (US) 2013-02-14 US disclosed
US-20130040961-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS (US) 2013-02-14 US disclosed
WO-2011103559-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS (US) 2011-08-25 WO disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-5599930-A Substituted indoles as anti-AIDS pharmaceuticals THE UPJOHN COMPANY (US) 1997-02-04 US disclosed
EP-0594702-B1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS UPJOHN CO (US) 1997-01-29 EP disclosed
US-5563142-A INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE THE UPJOHN COMPANY (US) 1996-10-08 US disclosed
US-5489593-A Anti-aids piperazines THE UPJOHN COMPANY (US) 1996-02-06 US disclosed
EP-0594702-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. UPJOHN CO (US) 1994-05-04 EP disclosed
WO-1993001181-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS THE UPJOHN COMPANY (US) 1993-01-21 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-20130040961-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS PCNA, DNPEP, POLI ADRA2A 3028/4885ADORA3 2121/4885CHRM1 2929/4885
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS HLA-DRB1, NOD2, DCX ADRA2A 1953/4885ADORA3 923/4885CHRM1 2886/4885

“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.