SCHEMBL3400102

SCHEMBL3400102

CCN(CC)C1CCN(C(=O)c2sc(-c3ccccc3C(C)C)nc2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.54
CNR1 P21554 1/20 0.44
CES2 O00748 1/20 0.42
OXTR P30559 1/20 0.41
POLB P06746 1/20 0.39
SIGLEC9 Q9Y336 1/20 0.38
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CBX7 O95931 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
USP1 O94782 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
SCHEMBL3405397 0.94 HTR2C (0.50) HTR2CCNR1CES2OXTR
SCHEMBL3400435 0.93 HTR2C (0.52) HTR2CCNR1CES2OXTRPOLB
SCHEMBL3402416 0.89 HTR2C (0.51) HTR2CCNR1CES2OXTRPOLB
SCHEMBL3405718 0.88 HTR2C (0.58) HTR2CCNR1CES2OXTRPOLB
SCHEMBL3398163 0.87 HTR2C (0.57) HTR2CCNR1CES2OXTRPOLB
SCHEMBL3399813 0.86 HTR2C (0.56) HTR2CCNR1CES2OXTRPOLB
SCHEMBL3401863 0.86 HTR2C (0.56) HTR2CCNR1CES2KDM4E
SCHEMBL3402631 0.85 HTR2C (0.74) HTR2CCNR1CES2
SCHEMBL3403464 0.85 HTR2C (0.52) HTR2CCNR1OXTR
SCHEMBL3401147 0.85 HTR2C (0.55) HTR2CCNR1CES2OXTRPOLB

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 35/4885CES2 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.