SCHEMBL3403306

SCHEMBL3403306

COc1ccc2ccccc2c1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.56
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 2/20 0.44
L3MBTL3 Q96JM7 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TP53BP1 Q12888 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
CES2 O00748 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CNR1 P21554 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
OXTR P30559 1/20 0.41

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
SCHEMBL3406034 1.00 HTR2C (0.56) HTR2CLMNAHRH3L3MBTL3L3MBTL1
SCHEMBL3405140 0.92 HTR2C (0.52) HTR2CLMNAACACBACACACNR1
SCHEMBL3405636 0.89 HTR2C (0.51) HTR2CLMNAHRH3L3MBTL3L3MBTL1
SCHEMBL3404675 0.89 HTR2C (0.51) HTR2CLMNAHRH3L3MBTL3L3MBTL1
SCHEMBL3402561 0.85 HTR2C (0.55) HTR2CLMNAL3MBTL3CES2CNR1
SCHEMBL13072189 0.84 HTR2C (0.58) HTR2CLMNAHRH3L3MBTL3L3MBTL1
SCHEMBL3401809 0.84 HTR2C (0.58) HTR2CLMNAHRH3L3MBTL3L3MBTL1
SCHEMBL3403257 0.83 HTR2C (0.52) HTR2CLMNACES2CNR1OXTR
SCHEMBL3403900 0.83 HTR2C (0.80) HTR2CLMNAHRH3L3MBTL3L3MBTL1
SCHEMBL13310362 0.83 L3MBTL3 (0.45) HTR2CLMNAHRH3L3MBTL3L3MBTL1

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 4 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

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 416/4885LMNA 4548/4885HRH3 1/4885

“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.