SCHEMBL3402686

SCHEMBL3402686

CCCN(CC1CC1)C1CCN(C(=O)c2sc(-c3cc(C)ccc3C)nc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.46
CRHR1 P34998 5/20 0.40
CES2 O00748 1/20 0.38
CNR1 P21554 1/20 0.37
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
OXTR P30559 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL3404774 0.91 HTR2C (0.45) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3401307 0.90 HTR2C (0.46) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3403021 0.89 HTR2C (0.54) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3401068 0.88 HTR2C (0.48) HTR2CCES2CNR1THRBTHRA
SCHEMBL3402533 0.87 HTR2C (0.56) HTR2CCRHR1CES2CNR1OXTR
SCHEMBL3402513 0.86 HTR2C (0.45) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3403572 0.86 HTR2C (0.52) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3401445 0.84 HTR2C (0.45) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3402440 0.84 HTR2C (0.52) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3405720 0.83 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 4 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

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 416/4885CRHR1 341/4885CES2 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.