SCHEMBL4776245

SCHEMBL4776245

NC1CCc2cc(CN3CC3)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.53
PLAU P00749 1/20 0.47
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTR1A P08908 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KCNH2 Q12809 2/20 0.43
MCHR1 Q99705 2/20 0.43

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
SCHEMBL5634205 0.94 LMNA (0.49) OPRK1PLAUDRD2DRD3KCNH2
SCHEMBL354877 0.94 OPRK1 (0.50) OPRK1PLAUDRD2DRD3MAPT
SCHEMBL354878 0.94 OPRK1 (0.50) OPRK1PLAUDRD2DRD3MAPT
SCHEMBL354963 0.93 OPRK1 (0.49) OPRK1PLAUDRD2DRD3ALDH1A1
SCHEMBL354962 0.93 OPRK1 (0.49) OPRK1PLAUDRD2DRD3ALDH1A1
SCHEMBL1725336 0.93 OPRK1 (0.49) OPRK1PLAUDRD2DRD3ALDH1A1
SCHEMBL5633241 0.91 OPRK1 (0.48) OPRK1PLAUDRD2DRD3MAPT
SCHEMBL5633787 0.90 OPRK1 (0.50) OPRK1PLAUDRD2DRD3MAPT
SCHEMBL4780284 0.90 OPRK1 (0.47) OPRK1PLAUDRD2DRD3SIGMAR1
SCHEMBL4795153 0.90 SMN1; SMN2 (0.51) OPRK1PLAUKCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US disclosed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP disclosed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO disclosed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 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-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R OPRK1 90/4885PLAU 3622/4885DRD2 96/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R OPRK1 90/4885PLAU 3622/4885DRD2 96/4885

“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.