SCHEMBL4142908

SCHEMBL4142908

NC1CCOc2cc(CNCC3CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.47
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
LTA4H P09960 1/20 0.41
CXCR4 P61073 2/20 0.40
KDM4C Q9H3R0 1/20 0.37
MCHR1 Q99705 1/20 0.36
MAP4K4 O95819 2/20 0.35
HTR1A P08908 1/20 0.35
MAP3K14 Q99558 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
NPY1R P25929 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BDKRB1 P46663 1/20 0.34

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
SCHEMBL4808441 0.84 ATM (0.55) ATML3MBTL1
SCHEMBL4155517 0.82 ALKBH5 (0.34) NPY5RHTR1AALKBH5FTOATM
SCHEMBL4150130 0.82 DPP7 (0.38) NPY5RHTR1AMAP3K14ALKBH5FTO
SCHEMBL4145560 0.81 NPY5R (0.35) NPY5RHTR1ABDKRB1
SCHEMBL4148884 0.81 CYP3A4 (0.41) LTA4HBDKRB1
SCHEMBL3570796 0.80 MAP3K14 (0.41) KDM4CMAP3K14BDKRB1
SCHEMBL3570792 0.80 MAP3K14 (0.41) KDM4CMAP3K14BDKRB1
SCHEMBL4149466 0.80 BDKRB1 (0.37) NPY5RHTR1AALKBH5FTOL3MBTL1
SCHEMBL4134116 0.80 BDKRB1 (0.43) MCHR1HTR1AALKBH5L3MBTL1BDKRB1
SCHEMBL4145157 0.79 ALDH1A1 (0.41) MCHR1HTR1AALKBH5FTOBDKRB1

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-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
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 NPY5R 1154/4885PRMT5 2890/4885WDR77 4305/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 NPY5R 1154/4885PRMT5 2890/4885WDR77 4305/4885

“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.