SCHEMBL3401212

SCHEMBL3401212

CCN(CC)C1CCN(C(=O)c2sc(-c3ccc(OC)c(OC)c3OC)nc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
CES2 O00748 1/20 0.40
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL3405469 0.95 HTR2C (0.42) HTR2CCES2CNR1L3MBTL1MEN1
SCHEMBL3405089 0.87 HTR2C (0.46) HTR2CCES2CNR1ALDH1A1ADORA2A
SCHEMBL3402962 0.87 HTR2C (0.46) HTR2CCES2CNR1ALDH1A1L3MBTL1
SCHEMBL3405059 0.87 HTR2C (0.56) HTR2CCES2CNR1L3MBTL1MEN1
SCHEMBL3405668 0.85 HTR2C (0.44) HTR2CCES2CNR1ALDH1A1THRB
SCHEMBL3399938 0.85 HTR2C (0.44) HTR2CTHRBTHRA
SCHEMBL3405346 0.84 HTR2C (0.43) HTR2CCES2CNR1THRBTHRA
SCHEMBL3401060 0.82 HTR2C (0.48) HTR2CCES2ALDH1A1L3MBTL1MEN1
SCHEMBL3399981 0.82 HTR2C (0.48) HTR2CCES2ALDH1A1L3MBTL1MEN1
SCHEMBL3402085 0.82 HTR2C (0.44) HTR2CALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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 (1 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885CES2 1068/4885CNR1 35/4885

“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.