SCHEMBL3398602

SCHEMBL3398602

CCN(CC)CCN(C)C(=O)c1sc(-c2cccc(C)c2C)nc1C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.57
TRPM8 Q7Z2W7 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 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
SCHEMBL3401169 0.89 HTR2C (0.47) HTR2CALDH1A1MAPTNPC1RAB9A
SCHEMBL13072009 0.87 HTR2C (0.52) HTR2CTRPM8ALDH1A1MAPTNPC1
SCHEMBL3405420 0.86 HTR2C (0.78) HTR2CTRPM8ALDH1A1MAPTNPC1
SCHEMBL3399658 0.85 HTR2C (0.58) HTR2CTRPM8ALDH1A1MAPTNPC1
SCHEMBL3405498 0.85 HTR2C (0.55) HTR2CTRPM8ALDH1A1MAPTNPC1
SCHEMBL3405494 0.85 HTR2C (0.55) HTR2CTRPM8ALDH1A1MAPTNPC1
SCHEMBL3401263 0.84 HTR2C (0.57) HTR2CTRPM8ALDH1A1MAPTNPC1
SCHEMBL3403609 0.83 HTR2C (0.62) HTR2CTRPM8ALDH1A1MAPTNPC1
SCHEMBL3400942 0.83 HTR2C (0.49) HTR2CTRPM8ALDH1A1MAPTNPC1
SCHEMBL3401487 0.83 HTR2C (0.55) HTR2CTRPM8ALDH1A1MAPTNPC1

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 416/4885TRPM8 455/4885ALDH1A1 916/4885

“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.