SCHEMBL2895044

SCHEMBL2895044

O=c1cc(C2CCN(Cc3ccc(C(=NOCCF)c4ccc(F)c(F)c4)cc3)CC2)cc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
ADRA1A P35348 2/20 0.39
MCHR1 Q99705 6/20 0.39
KCNH2 Q12809 4/20 0.39
JAK2 O60674 7/20 0.39
JAK1 P23458 7/20 0.39
JAK3 P52333 5/20 0.39
TYK2 P29597 4/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL2895039 1.00 DRD2 (0.39) DRD2ADRA1AMCHR1KCNH2JAK2
SCHEMBL2894052 0.84 MCHR1 (0.42) DRD2ADRA1AMCHR1KCNH2JAK2
SCHEMBL2894055 0.84 MCHR1 (0.42) DRD2ADRA1AMCHR1KCNH2JAK2
SCHEMBL2893041 0.83 MCHR1 (0.39) DRD2ADRA1AMCHR1KCNH2ALDH1A1
SCHEMBL2893040 0.83 MCHR1 (0.39) DRD2ADRA1AMCHR1KCNH2ALDH1A1
SCHEMBL2883291 0.81 MCHR1 (0.49) DRD2ADRA1AMCHR1KCNH2JAK2
SCHEMBL2883294 0.81 MCHR1 (0.49) DRD2ADRA1AMCHR1KCNH2JAK2
SCHEMBL2878478 0.80 MCHR1 (0.46) DRD2ADRA1AMCHR1KCNH2JAK2
SCHEMBL2878480 0.80 MCHR1 (0.46) DRD2ADRA1AMCHR1KCNH2JAK2
Hydrochloric Acid SCHEMBL2894858 0.80 MCHR1 (0.40) DRD2ADRA1AMCHR1KCNH2ALDH1A1

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 DRD2 113/4885ADRA1A 35/4885MCHR1 2/4885

“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.