SCHEMBL3405325

SCHEMBL3405325

CCOCn1cc(C(O)C2CCN(C3CCC3)CC2)nc1-c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
CALCRL Q16602 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
ADRA1A P35348 2/20 0.34
KCNH2 Q12809 2/20 0.34
OPRM1 P35372 4/20 0.33
OPRK1 P41145 4/20 0.33
OGFRL1 Q5TC84 4/20 0.33
OPRD1 P41143 3/20 0.33
GAA P10253 1/20 0.33
OPRL1 P41146 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL3401223 0.91 HTR2C (0.37) HTR2CCALCRLSIGMAR1CHRNB1CHRNB2
SCHEMBL3402517 0.89 SIGMAR1 (0.37) HTR2CCALCRLSIGMAR1OPRM1OPRK1
SCHEMBL3405359 0.81 CALCRL (0.34) HTR2CCALCRLSIGMAR1CHRNB1CHRNB2
SCHEMBL3400855 0.80 GAA (0.35) HTR2CCALCRLSIGMAR1CHRNB1CHRNB2
SCHEMBL3405779 0.78 HTR2C (0.45) HTR2CHRH3KDM4EALDH1A1
SCHEMBL3399694 0.77 HTR2C (0.38) HTR2CHRH3KDM4E
SCHEMBL3405798 0.75 SLC6A2 (0.38) HTR2COPRM1OPRK1OPRD1FNTA
SCHEMBL5549726 0.70 GAA (0.35) HTR2CCALCRLSIGMAR1CHRNB1CHRNB2
SCHEMBL3404715 0.70 GAA (0.46) HTR2CHRH3KCNH2GAAKDM4E
SCHEMBL3399827 0.69 SIGMAR1 (0.43) SIGMAR1HRH3KCNH2OPRM1KDM4E

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 416/4885CALCRL 231/4885SIGMAR1 262/4885

“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.