SCHEMBL3402656

SCHEMBL3402656

COc1cccc(OC)c1-c1nc(C)c(C(=O)N2CCN(C(C)C)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.48
CNR1 P21554 1/20 0.47
HRH3 Q9Y5N1 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PARP1 P09874 1/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL3402453 0.88 HTR2C (0.55) HTR2CCNR1HRH3PARP1HTT
SCHEMBL3397087 0.88 HTR2C (0.53) HTR2CCNR1HRH3SLC6A2SLC6A4
SCHEMBL3405573 0.86 HTR2C (0.52) HTR2CCNR1HRH3PARP1MAPT
SCHEMBL3404035 0.84 HTR2C (0.50) HTR2CCNR1HRH3PARP1HTT
SCHEMBL3402546 0.83 CNR1 (0.53) HTR2CCNR1HRH3SLC6A2SLC6A4
SCHEMBL3404564 0.83 CFTR (0.52) HTR2CCNR1MAPTLMNATSHR
SCHEMBL3398935 0.83 HRH3 (0.39) HTR2CCNR1HRH3SLC6A2SLC6A4
SCHEMBL3401691 0.83 HTR2C (0.45) HTR2CCNR1HRH3SLC6A2SLC6A4
SCHEMBL3405357 0.82 CNR1 (0.54) HTR2CCNR1HRH3MAPTSMN1; SMN2
SCHEMBL3404859 0.82 CNR1 (0.47) HTR2CCNR1HRH3SLC6A2SLC6A4

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 416/4885CNR1 35/4885HRH3 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.