SCHEMBL3398372

SCHEMBL3398372

CCCCN1CCCN(C(=O)c2sc(-c3ccccc3C(C)C)nc2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.52
CES2 O00748 1/20 0.45
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 4/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL13071667 0.89 HTR2C (0.55) HTR2CCES2POLBCNR1PARP1
SCHEMBL3402545 0.88 HTR2C (0.54) HTR2CCES2POLBCNR1PARP1
SCHEMBL3403538 0.88 HTR2C (0.54) HTR2CCES2POLBCNR1PARP1
SCHEMBL3400804 0.87 HTR2C (0.53) HTR2CCES2POLBCNR1ALDH1A1
SCHEMBL3402128 0.86 HTR2C (0.55) HTR2CCES2POLBCNR1PARP1
SCHEMBL3402206 0.86 HTR2C (0.71) HTR2CCES2POLBPARP1
SCHEMBL3404227 0.85 HTR2C (0.52) HTR2CCES2POLBCNR1PARP1
SCHEMBL3400126 0.85 HTR2C (0.53) HTR2CCES2POLBCNR1L3MBTL1
SCHEMBL3401176 0.85 CNR1 (0.60) HTR2CCES2CNR1L3MBTL1PARP1
SCHEMBL3402333 0.84 HTR2C (0.57) HTR2CCES2POLBCNR1PARP1

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 1068/4885POLB 4629/4885

“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.