SCHEMBL4780284

SCHEMBL4780284

NC1CCc2cc(CN3CCNCC3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.47
CXCR4 P61073 6/20 0.43
MEN1 O00255 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2C P18825 1/20 0.43
CCR2 P41597 1/20 0.43
CXCL12 P48061 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CRBN Q96SW2 1/20 0.41
PLAU P00749 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4776245 0.90 OPRK1 (0.53) OPRK1SIGMAR1PLAUDRD2DRD3
SCHEMBL354878 0.87 OPRK1 (0.50) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL354877 0.87 OPRK1 (0.50) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL1725336 0.86 OPRK1 (0.49) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL354963 0.86 OPRK1 (0.49) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL354962 0.86 OPRK1 (0.49) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL5633241 0.85 OPRK1 (0.48) OPRK1HRH3PLAUDRD2DRD3
SCHEMBL5634205 0.85 LMNA (0.49) OPRK1PLAUDRD2DRD3
SCHEMBL5633787 0.84 OPRK1 (0.50) OPRK1MEN1KMT2AHRH3PLAU
SCHEMBL4795153 0.84 SMN1; SMN2 (0.51) OPRK1HRH3PLAU

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 90/4885CXCR4 1403/4885MEN1 238/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R OPRK1 90/4885CXCR4 1403/4885MEN1 238/4885

“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.