SCHEMBL4145157

SCHEMBL4145157

CCC(C)CNCc1ccc2c(c1)OCCC2N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
BDKRB1 P46663 6/20 0.38
MCHR1 Q99705 1/20 0.36
HTR1A P08908 1/20 0.33
KMT2A Q03164 2/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 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
SCHEMBL4149466 0.82 BDKRB1 (0.37) ALDH1A1KDM4ETSHRBDKRB1HTR1A
SCHEMBL4142908 0.79 NPY5R (0.47) BDKRB1MCHR1HTR1AALKBH5FTO
SCHEMBL4134116 0.77 BDKRB1 (0.43) BDKRB1MCHR1HTR1AKMT2AALKBH5
SCHEMBL4152298 0.77 OPRD1 (0.40) BDKRB1
SCHEMBL4155517 0.77 ALKBH5 (0.34) BDKRB1HTR1AALKBH5FTO
SCHEMBL4150130 0.77 DPP7 (0.38) ALDH1A1KDM4ETSHRBDKRB1HTR1A
SCHEMBL172307 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRBDKRB1MCHR1
SCHEMBL4145560 0.76 NPY5R (0.35) KDM4EBDKRB1HTR1A
SCHEMBL4154594 0.76 BDKRB1 (0.44) BDKRB1
SCHEMBL5951049 0.76 BDKRB1 (0.44) BDKRB1

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 ALDH1A1 353/4885KDM4E 2759/4885TSHR 4705/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ALDH1A1 353/4885KDM4E 2759/4885TSHR 4705/4885

“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.