SCHEMBL3401421

SCHEMBL3401421

CC(C)N1CCN(Cc2cn(C)c(-c3cccc4ccccc34)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
SLC2A1 P11166 1/20 0.40
TACR2 P21452 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TACR3 P29371 4/20 0.38
MC4R P32245 2/20 0.38
LMNA P02545 1/20 0.37
PARP1 P09874 1/20 0.37
ACHE P22303 1/20 0.37
OPRM1 P35372 1/20 0.37
KCNH2 Q12809 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK6 Q00534 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3402431 0.87 CCND1 (0.40) MAOBSLC2A1TACR2KDM4ETACR3
SCHEMBL3404020 0.79 LMNA (0.38) TACR2KDM4ETACR3MC4RLMNA
SCHEMBL3405179 0.79 LMNA (0.38) TACR2KDM4ETACR3MC4RLMNA
SCHEMBL3405519 0.78 KDM4E (0.41) MAOBSLC2A1TACR2KDM4ETACR3
SCHEMBL3402966 0.77 MEN1 (0.39) KDM4EMC4RLMNACCND1CDK6
SCHEMBL3402347 0.76 LMNA (0.36) TACR2KDM4ETACR3LMNAACHE
SCHEMBL3399762 0.76 KMT2A (0.45) KDM4ELMNAALDH1A1POLBMAPT
SCHEMBL3404838 0.74 LMNA (0.39) MAOBSLC2A1TACR2KDM4ETACR3
SCHEMBL3405131 0.74 TLR8 (0.43) SLC2A1KDM4ELMNAPOLB
SCHEMBL3400819 0.74 HTR2C (0.46) MAOBSLC2A1KDM4ELMNAALDH1A1

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 MAOB 674/4885SLC2A1 1827/4885TACR2 31/4885

“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.