SCHEMBL2882832

SCHEMBL2882832

CCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccc4nccn4c3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.54
KCNH2 Q12809 4/20 0.54
PIK3CA P42336 2/20 0.38
PRKAA2 P54646 2/20 0.38
NAMPT P43490 4/20 0.36
ALDH1A1 P00352 1/20 0.36
FASN P49327 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CCR5 P51681 2/20 0.34
KMT2A Q03164 1/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL2882836 1.00 MCHR1 (0.54) MCHR1KCNH2PIK3CAPRKAA2NAMPT
SCHEMBL2877533 0.91 MCHR1 (0.54) MCHR1KCNH2PIK3CAPRKAA2ALDH1A1
SCHEMBL2877532 0.91 MCHR1 (0.54) MCHR1KCNH2PIK3CAPRKAA2ALDH1A1
SCHEMBL2883834 0.89 MCHR1 (0.55) MCHR1KCNH2PIK3CAPRKAA2ALDH1A1
SCHEMBL2883835 0.89 MCHR1 (0.55) MCHR1KCNH2PIK3CAPRKAA2ALDH1A1
SCHEMBL2882976 0.89 MCHR1 (0.53) MCHR1KCNH2PIK3CAPRKAA2ALDH1A1
SCHEMBL2882979 0.89 MCHR1 (0.53) MCHR1KCNH2PIK3CAPRKAA2ALDH1A1
SCHEMBL2883703 0.86 MCHR1 (0.58) MCHR1KCNH2PIK3CAPRKAA2ALDH1A1
SCHEMBL2883697 0.86 MCHR1 (0.58) MCHR1KCNH2PIK3CAPRKAA2ALDH1A1
SCHEMBL2880553 0.86 MCHR1 (0.54) MCHR1KCNH2ALDH1A1

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 MCHR1 2/4885KCNH2 565/4885PIK3CA 3373/4885

“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.