SCHEMBL4818097

SCHEMBL4818097

NC1CCc2ccc(CN3CCC(F)CC3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
PLAU P00749 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
OPRK1 P41145 1/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ACHE P22303 2/20 0.38
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL5633241 0.94 OPRK1 (0.48) DRD2DRD3PLAUHRH3OPRK1
SCHEMBL5633087 0.86 OPRK1 (0.46) DRD2DRD3PLAUHRH3OPRK1
SCHEMBL4776245 0.85 OPRK1 (0.53) DRD2DRD3PLAUOPRK1MAPT
SCHEMBL354877 0.83 OPRK1 (0.50) DRD2DRD3PLAUHRH3OPRK1
SCHEMBL354878 0.83 OPRK1 (0.50) DRD2DRD3PLAUHRH3OPRK1
SCHEMBL4795153 0.82 SMN1; SMN2 (0.51) PLAUHRH3OPRK1KCNH2MCHR1
SCHEMBL5633787 0.82 OPRK1 (0.50) DRD2DRD3PLAUHRH3OPRK1
SCHEMBL13189373 0.82 FAAH (0.47) HRH3ALDH1A1ACHE
SCHEMBL354963 0.82 OPRK1 (0.49) DRD2DRD3PLAUHRH3OPRK1
SCHEMBL1725336 0.82 OPRK1 (0.49) DRD2DRD3PLAUHRH3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 DRD2 3363/4885DRD3 3373/4885PLAU 1209/4885

“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.