SCHEMBL3402128

SCHEMBL3402128

CCN1CCN(C(=O)c2sc(-c3ccccc3C(C)C)nc2C)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.55
CNR1 P21554 1/20 0.48
CES2 O00748 1/20 0.48
HSD11B1 P28845 1/20 0.47
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PARP1 P09874 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL3402963 0.87 HTR2C (0.57) HTR2CCNR1CES2SMN1; SMN2HRH3
SCHEMBL3396773 0.87 HTR2C (0.59) HTR2CCNR1CES2HSD11B1LMNA
SCHEMBL3398372 0.86 HTR2C (0.52) HTR2CCNR1CES2NPC1ALDH1A1
SCHEMBL3400053 0.86 HTR2C (0.58) HTR2CCNR1CES2HSD11B1LMNA
SCHEMBL3399698 0.84 HTR2C (0.78) HTR2CCNR1CES2HSD11B1KDM4E
SCHEMBL3399722 0.83 HTR2C (0.55) HTR2CCNR1CES2HSD11B1LMNA
SCHEMBL3400102 0.83 HTR2C (0.54) HTR2CCNR1CES2KDM4EPOLB
SCHEMBL3403824 0.83 HTR2C (0.57) HTR2CCNR1CES2HSD11B1LMNA
SCHEMBL3400383 0.82 HTR2C (0.53) HTR2CCNR1CES2LMNAKDM4E
SCHEMBL3400873 0.82 HTR2C (0.62) HTR2CCNR1CES2HSD11B1LMNA

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.