SCHEMBL3405532

SCHEMBL3405532

CCN(CC)C1CCN(C(=O)c2sc(-c3ccc(C)c4ccccc34)nc2C)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.56
POLR1A O95602 1/20 0.44
CES2 O00748 1/20 0.44
CNR1 P21554 1/20 0.41
JAK1 P23458 2/20 0.39

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
SCHEMBL3402132 0.94 HTR2C (0.60) HTR2CCES2CNR1
SCHEMBL3405032 0.91 HTR2C (0.69) HTR2CPOLR1ACES2
SCHEMBL3399761 0.89 HTR2C (0.53) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3399878 0.89 HTR2C (0.58) HTR2CCES2CNR1
SCHEMBL3404740 0.87 HTR2C (0.52) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3402535 0.86 HTR2C (0.52) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3402532 0.86 HTR2C (0.52) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3399783 0.86 HTR2C (0.45) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3404419 0.85 HTR2C (0.51) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3402631 0.85 HTR2C (0.74) HTR2CCES2CNR1

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 416/4885POLR1A 4685/4885CES2 1068/4885

“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.