SCHEMBL3678338

SCHEMBL3678338

CC(C)N1CCN(C(=O)C(C)(C)N)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.50
KCNH2 Q12809 4/20 0.50
CYP2D6 P10635 2/20 0.50
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CHRM1 P11229 1/20 0.36
EPHX2 P34913 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL26554655 0.86 SIGMAR1 (0.44) HRH3KCNH2CYP2D6SIGMAR1
SCHEMBL25530321 0.85 HRH3 (0.49) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL10130722 0.83 MEN1 (0.54) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL13999393 0.83 HRH3 (0.53) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL25533360 0.82 HRH3 (0.45) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL22249046 0.82 HRH3 (0.45) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL25533363 0.82 HRH3 (0.45) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL25443823 0.80 HRH3 (0.51) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL2747052 0.80 CHRNB2 (0.37) MEN1KMT2ADPP4
SCHEMBL20315414 0.80 HRH3 (0.50) HRH3KCNH2CYP2D6MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813611-B1 1-SUBSTITUTED-3- BETA-D-GLYCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2014-10-01 EP disclosed
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
EP-2175934-A2 COSMETIC MEDIUM BASED ON VINYLIMIDAZOLE POLYMERS BASF SE (DE) 2010-04-21 EP disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
WO-2009007339-A2 COSMETIC MEDIUM BASED ON VINYLIMIDAZOLE POLYMERS BASF SE (DE) 2009-01-15 WO disclosed
EP-1813611-A1 1-SUBSTITUTED-3- BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed
EP-1455739-A1 COSMETIC AGENT CONTAINING AT LEAST ONE COPOLYMER HAVING N-VINYLLACTAM UNITS BASF AKTIENGESELLSCHAFT (DE) 2004-09-15 EP disclosed
WO-2003053381-A1 COSMETIC AGENT CONTAINING AT LEAST ONE COPOLYMER HAVING N-VINYLLACTAM UNITS BASF AKTIENGESELLSCHAFT (DE) 2003-07-03 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 (2 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-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 HRH3 1924/4885KCNH2 1427/4885CYP2D6 574/4885
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME SLC5A1, SLC5A2, UGGT1 HRH3 3873/4885KCNH2 913/4885CYP2D6 195/4885

“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.