SCHEMBL3405346

SCHEMBL3405346

CCN(CC)C1CCN(C(=O)c2sc(-c3cc(C(C)C)ccc3OC)nc2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
CES2 O00748 1/20 0.38
CTSA P10619 4/20 0.37
CNR1 P21554 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
FGFR1 P11362 1/20 0.35
FYN P06241 1/20 0.35
MDM2 Q00987 1/20 0.35
LPAR5 Q9H1C0 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
SCHEMBL3401419 0.95 HTR2C (0.40) HTR2CCTSA
SCHEMBL3405651 0.90 HTR2C (0.45) HTR2CCTSACNR1THRATHRB
SCHEMBL3405089 0.89 HTR2C (0.46) HTR2CCES2CNR1THRATHRB
SCHEMBL3402962 0.89 HTR2C (0.46) HTR2CCES2CNR1
SCHEMBL3399938 0.88 HTR2C (0.44) HTR2CTHRATHRB
SCHEMBL3405668 0.88 HTR2C (0.44) HTR2CCES2CTSACNR1THRB
SCHEMBL3405059 0.86 HTR2C (0.56) HTR2CCES2CNR1
SCHEMBL3401389 0.84 HTR2C (0.42) HTR2C
SCHEMBL3404365 0.84 HTR2C (0.42) HTR2CCES2
SCHEMBL3401212 0.84 HTR2C (0.46) HTR2CCES2CNR1THRATHRB

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 1068/4885CTSA 2055/4885

“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.