SCHEMBL2298747

SCHEMBL2298747

CC(C)(C)OC(=O)C1CNCCN1c1ncccc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.41
HTR2C P28335 7/20 0.41
HTR2B P41595 7/20 0.41
POLB P06746 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.33
SSTR4 P31391 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL2297610 0.83 SMN1; SMN2 (0.53) HTR2AHTR2CHTR2BPOLBHSD11B1
SCHEMBL2357556 0.83 HTR2A (0.38) HTR2AHTR2CHTR2BPOLBSMN1; SMN2
SCHEMBL2300018 0.81 HTR2A (0.36) HTR2AHTR2CHTR2BPOLB
SCHEMBL4738514 0.77 HTR2A (0.34) HTR2AHTR2CHTR2BPOLBGPR119
SCHEMBL5377547 0.77 CHRNB2 (0.39)
SCHEMBL27561229 0.77 SLC6A2 (0.44) HTR2AHTR2CHTR2BGPR119
SCHEMBL4143683 0.76 HTR1A (0.41) HTR2AHTR2CPOLBSSTR4
SCHEMBL3567298 0.76 KDM4E (0.41) POLBSMN1; SMN2
SCHEMBL3453910 0.76 SSTR4 (0.34) HTR2AHTR2CHTR2BSSTR4
SCHEMBL6992310 0.75 HTR2C (0.39) HTR2AHTR2CHTR2BSMN1; SMN2

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-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-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
WO-2011103559-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS (US) 2011-08-25 WO disclosed
US-4996318-A Amino-9,10-secosteroids useful for treating head injury, spinal cord trauma or stroke THE UPJOHN COMPANY (US) 1991-02-26 US disclosed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 EP disclosed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 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 HTR2A 3211/4885HTR2C 3080/4885HTR2B 3371/4885
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS HLA-DRB1, NOD2, DCX HTR2A 2032/4885HTR2C 1767/4885HTR2B 2255/4885

“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.