SCHEMBL3405166

SCHEMBL3405166

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc3ccccc3c2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
TRPM8 Q7Z2W7 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL3405160 0.89 HTR2C (0.45) HTR2CTRPM8SMN1; SMN2NPC1HPGD
SCHEMBL3400771 0.87 HTR2C (0.45) HTR2CTRPM8SMN1; SMN2NPC1HPGD
SCHEMBL3399741 0.86 TRPM8 (0.50) HTR2CTRPM8SMN1; SMN2NPC1HPGD
SCHEMBL3404554 0.86 HTR2C (0.44) HTR2CTRPM8SMN1; SMN2NPC1PPARA
SCHEMBL13309741 0.85 RAB9A (0.56) HTR2CTRPM8SMN1; SMN2NPC1HPGD
SCHEMBL3405703 0.85 MCHR1 (0.52) HTR2CTRPM8SMN1; SMN2NPC1HPGD
SCHEMBL3404127 0.85 HTR2C (0.49) HTR2CTRPM8SMN1; SMN2NPC1HPGD
SCHEMBL13071536 0.85 HTR2C (0.43) HTR2CTRPM8SMN1; SMN2NPC1HPGD
SCHEMBL3403876 0.85 KMT2A (0.45) HTR2CTRPM8SMN1; SMN2NPC1PPARA
SCHEMBL3404513 0.84 HTR2C (0.46) HTR2CTRPM8SMN1; SMN2NPC1HPGD

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 455/4885SMN1; SMN2 1605/4885

“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.