SCHEMBL3402983

SCHEMBL3402983

CCN(C)CCN(CC)C(=O)c1sc(-c2cccc3ccccc23)nc1C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.68
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL3396857 0.90 HTR2C (0.66) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3402104 0.89 HTR2C (0.53) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3403644 0.87 HTR2C (0.49) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3406004 0.87 HTR2C (0.49) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3402572 0.86 HTR2C (0.48) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3403427 0.82 HTR2C (0.48) HTR2CNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3405420 0.82 HTR2C (0.78) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3402129 0.81 HTR2C (0.43) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL13310314 0.80 HTR2C (0.41) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3402218 0.80 HTR2C (0.41) HTR2CNPC1ALDH1A1MAPTRAB9A

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 416/4885NPC1 2005/4885ALDH1A1 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.