SCHEMBL2882785

SCHEMBL2882785

O=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccn4cnnc4c3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.42
PIK3CA P42336 3/20 0.42
FASN P49327 1/20 0.40
MCHR1 Q99705 4/20 0.40
KCNH2 Q12809 2/20 0.39
ACHE P22303 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
DRD2 P14416 2/20 0.36
ADRA1A P35348 2/20 0.36
MLLT1 Q03111 4/20 0.35
ALDH1A1 P00352 1/20 0.35
MLLT3 P42568 1/20 0.35
YEATS2 Q9ULM3 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL2880376 0.87 FASN (0.41) PRKAA2PIK3CAFASNMCHR1KCNH2
SCHEMBL2883117 0.85 MCHR1 (0.45) PRKAA2PIK3CAFASNMCHR1KCNH2
SCHEMBL2883113 0.85 MCHR1 (0.45) PRKAA2PIK3CAFASNMCHR1KCNH2
SCHEMBL1001840 0.82 MCHR1 (0.45) PRKAA2MCHR1KCNH2ACHEJAK2
SCHEMBL2878240 0.79 MCHR1 (0.41) PRKAA2PIK3CAMCHR1KCNH2ACHE
SCHEMBL2880435 0.79 PRKAA2 (0.44) PRKAA2PIK3CAMCHR1DRD2ADRA1A
SCHEMBL2883696 0.76 MCHR1 (0.52) PRKAA2MCHR1KCNH2ACHEDRD2
SCHEMBL2880370 0.75 MAOA (0.40) PRKAA2PIK3CAFASNMCHR1KCNH2
SCHEMBL2885155 0.74 MCHR1 (0.41) PRKAA2PIK3CAFASNMCHR1KCNH2
SCHEMBL2885152 0.74 MCHR1 (0.41) PRKAA2PIK3CAFASNMCHR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 PRKAA2 3043/4885PIK3CA 3373/4885FASN 3762/4885

“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.