SCHEMBL3399432

SCHEMBL3399432

CCc1ccccc1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.59
CES2 O00748 1/20 0.50
LMNA P02545 1/20 0.47
L3MBTL3 Q96JM7 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
TP53BP1 Q12888 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CNR1 P21554 1/20 0.46
MBTD1 Q05BQ5 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OXTR P30559 1/20 0.44

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
SCHEMBL13309969 1.00 HTR2C (0.59) HTR2CCES2LMNAL3MBTL3L3MBTL1
SCHEMBL3398178 0.91 HTR2C (0.54) HTR2CCES2LMNAL3MBTL1CNR1
SCHEMBL13071662 0.89 HTR2C (0.62) HTR2CCES2LMNAL3MBTL3L3MBTL1
SCHEMBL3399560 0.89 HTR2C (0.62) HTR2CCES2LMNAL3MBTL3L3MBTL1
SCHEMBL13071740 0.88 HTR2C (0.61) HTR2CCES2LMNAL3MBTL3L3MBTL1
SCHEMBL3404356 0.88 HTR2C (0.61) HTR2CCES2LMNAL3MBTL3L3MBTL1
SCHEMBL13071743 0.87 HTR2C (0.60) HTR2CCES2LMNAL3MBTL3L3MBTL1
SCHEMBL3405116 0.87 HTR2C (0.60) HTR2CCES2LMNAL3MBTL3L3MBTL1
SCHEMBL3406015 0.87 HTR2C (0.55) HTR2CCES2LMNAL3MBTL3L3MBTL1
SCHEMBL13310360 0.87 HTR2C (0.55) HTR2CCES2LMNAL3MBTL3L3MBTL1

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 1068/4885LMNA 4548/4885

“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.