SCHEMBL3400435

SCHEMBL3400435

CCCN(CCC)C1CCN(C(=O)c2sc(-c3ccccc3C(C)C)nc2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.52
CNR1 P21554 1/20 0.43
OXTR P30559 1/20 0.42
CES2 O00748 1/20 0.41
POLB P06746 1/20 0.38
SIGLEC9 Q9Y336 1/20 0.36
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3402416 0.94 HTR2C (0.51) HTR2CCNR1OXTRCES2POLB
SCHEMBL3400102 0.93 HTR2C (0.54) HTR2CCNR1OXTRCES2POLB
SCHEMBL3405397 0.87 HTR2C (0.50) HTR2CCNR1OXTRCES2
SCHEMBL3400812 0.86 HTR2C (0.53) HTR2CCNR1OXTRCES2POLB
SCHEMBL3403464 0.84 HTR2C (0.52) HTR2CCNR1OXTR
SCHEMBL3403021 0.83 HTR2C (0.54) HTR2CCNR1OXTRCES2POLB
SCHEMBL3402128 0.81 HTR2C (0.55) HTR2CCNR1CES2POLB
SCHEMBL3402440 0.81 HTR2C (0.52) HTR2CCNR1OXTRCES2POLB
SCHEMBL3405718 0.81 HTR2C (0.58) HTR2CCNR1OXTRCES2POLB
SCHEMBL3405720 0.80 HTR2C (0.68) HTR2CCES2

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 416/4885CNR1 35/4885OXTR 193/4885

“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.