SCHEMBL4146221

SCHEMBL4146221

CC(C)NC(C)c1ccc2c(c1)CCCC2N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
OPRD1 P41143 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP3A4 P08684 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL4145997 0.86 GAA (0.42) ACHEOPRD1ALDH1A1KMT2AHTT
SCHEMBL3538646 0.85 ACHE (0.34) ACHEOPRD1ALDH1A1KMT2AHTT
SCHEMBL4145688 0.85 GAA (0.48) ACHEOPRD1ALDH1A1KMT2AHTT
SCHEMBL4146069 0.85 GAA (0.44) ACHEOPRD1ALDH1A1KMT2AHTT
SCHEMBL10257602 0.84 CHRNB2 (0.39) ACHEOPRD1ALDH1A1KMT2AHTT
SCHEMBL10257512 0.84 CHRNB2 (0.39) ACHEOPRD1ALDH1A1KMT2AHTT
SCHEMBL4145570 0.83 OPRD1 (0.33) ACHEOPRD1ALDH1A1KMT2AHTT
SCHEMBL4146772 0.83 PARP1 (0.36) ACHEOPRD1ALDH1A1LMNA
SCHEMBL4148595 0.82 OPRD1 (0.33) ACHEOPRD1ALDH1A1KMT2AHTT
SCHEMBL4152497 0.79 HTR6 (0.37) ACHEOPRD1ALDH1A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 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 (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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 ACHE 32/4885OPRD1 390/4885ALDH1A1 353/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ACHE 32/4885OPRD1 390/4885ALDH1A1 353/4885

“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.