SCHEMBL4139918

SCHEMBL4139918

CC(c1ccc2c(c1)CCCC2N)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
ACHE P22303 3/20 0.38
OPRD1 P41143 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 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
SCHEMBL3536008 1.00 MBTD1 (0.43) MBTD1L3MBTL3ACHEOPRD1CYP3A4
SCHEMBL10257602 0.81 CHRNB2 (0.39) ACHEOPRD1CYP3A4CYP2C9
SCHEMBL10257512 0.81 CHRNB2 (0.39) ACHEOPRD1CYP3A4CYP2C9
SCHEMBL4146221 0.76 ACHE (0.36) ACHEOPRD1CYP3A4
SCHEMBL3535779 0.74 ACHE (0.41) MBTD1L3MBTL3ACHECYP3A4CYP2C9
SCHEMBL3535777 0.74 ACHE (0.41) MBTD1L3MBTL3ACHECYP3A4CYP2C9
SCHEMBL4145997 0.74 GAA (0.42) ACHEOPRD1CYP3A4
SCHEMBL4146069 0.73 GAA (0.44) ACHEOPRD1CYP3A4
SCHEMBL3538646 0.73 ACHE (0.34) ACHEOPRD1CYP3A4
SCHEMBL4145688 0.73 GAA (0.48) ACHEOPRD1

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 MBTD1 4262/4885L3MBTL3 2540/4885ACHE 32/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 MBTD1 4262/4885L3MBTL3 2540/4885ACHE 32/4885

“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.