SCHEMBL3399694

SCHEMBL3399694

CCn1cc(C(O)C2CCN(C(C)C)CC2)nc1-c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.38
KMT2A Q03164 1/20 0.35
WHR1 P49842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MC4R P32245 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR4 Q13639 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NSD2 O96028 1/20 0.32

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
SCHEMBL3405798 0.86 SLC6A2 (0.38) HTR2CKMT2AKDM4E
SCHEMBL3401223 0.86 HTR2C (0.37) HTR2CKMT2AKDM4ECYP11B1CYP11B2
SCHEMBL3402517 0.86 SIGMAR1 (0.37) HTR2CKMT2AKDM4ECYP11B1CYP11B2
SCHEMBL3405325 0.77 HTR2C (0.36) HTR2CKDM4EHRH3
SCHEMBL3402431 0.76 CCND1 (0.40) KMT2AKDM4EMC4RACHE
SCHEMBL3399942 0.75 HTR2C (0.42) HTR2CHRH3
SCHEMBL3400855 0.73 GAA (0.35) HTR2CKDM4EHRH3
SCHEMBL3402347 0.72 LMNA (0.36) HTR2CKMT2AKDM4EACHEMAPT
SCHEMBL3405179 0.68 LMNA (0.38) KMT2AKDM4EMC4RMAPTSMN1; SMN2
SCHEMBL3404020 0.68 LMNA (0.38) KMT2AKDM4EMC4RACHEMAPT

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 416/4885KMT2A 890/4885WHR1 4302/4885

“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.