SCHEMBL4781124

SCHEMBL4781124

CNC1CCc2cc(C#N)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
CYP11B2 P19099 1/20 0.43
DRD4 P21917 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
PNMT P11086 6/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SLC6A4 P31645 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL23652645 0.94 DRD2 (0.45) DRD2DRD3CYP11B2DRD4CA1
SCHEMBL2731329 0.81 CA1 (0.48) DRD2DRD3CA1CA2ACHE
SCHEMBL1743661 0.81 CA1 (0.48) DRD2DRD3CA1CA2ACHE
SCHEMBL2730699 0.81 CA1 (0.48) DRD2DRD3CA1CA2ACHE
SCHEMBL14525540 0.79 DRD2 (0.49) DRD2DRD3CYP11B2PNMT
SCHEMBL1337530 0.77 DRD2 (0.60) DRD2CA1CA2ACHEMTNR1A
SCHEMBL20909682 0.77 DRD2 (0.46) DRD2DRD3DRD4CA1CA2
SCHEMBL23552324 0.76 MCHR1 (0.41) DRD2DRD3CYP11B2CA1CA2
SCHEMBL2724775 0.76 OPRK1 (0.57) DRD2DRD3
SCHEMBL2722643 0.76 OPRK1 (0.57) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 96/4885DRD3 102/4885CYP11B2 136/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R DRD2 96/4885DRD3 102/4885CYP11B2 136/4885

“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.