SCHEMBL3399783

SCHEMBL3399783

CCN(CC)C1CCN(C(=O)c2sc(-c3cc(C)ccc3C)nc2C)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.45
POLR1A O95602 1/20 0.41
JAK1 P23458 2/20 0.39
CES2 O00748 1/20 0.39
KDM1A O60341 1/20 0.38
CNR1 P21554 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 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
SCHEMBL3401068 0.94 HTR2C (0.48) HTR2CCES2CNR1THRATHRB
SCHEMBL3405875 0.91 HTR2C (0.44) HTR2CPOLR1ACES2KDM1ATHRA
SCHEMBL3401811 0.89 HTR2C (0.45) HTR2CPOLR1AJAK1CES2KDM1A
SCHEMBL3404365 0.89 HTR2C (0.42) HTR2CPOLR1AJAK1CES2KDM1A
SCHEMBL3399761 0.88 HTR2C (0.53) HTR2CPOLR1AJAK1CES2CNR1
SCHEMBL3405532 0.86 HTR2C (0.56) HTR2CPOLR1AJAK1CES2CNR1
SCHEMBL3402394 0.85 THRA (0.45) HTR2CPOLR1AJAK1KDM1ACNR1
SCHEMBL3405850 0.85 HTR2C (0.44) HTR2CPOLR1AJAK1CES2KDM1A
SCHEMBL3400092 0.85 HTR2C (0.47) HTR2CCES2CNR1THRATHRB
SCHEMBL3402532 0.85 HTR2C (0.52) HTR2CPOLR1AJAK1CES2CNR1

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 416/4885POLR1A 4685/4885JAK1 1142/4885

“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.