SCHEMBL2893041

SCHEMBL2893041

O=c1cccc(C2CCN(Cc3ccc(C(=NOCCF)c4ccc(F)c(F)c4)cc3)CC2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.39
KCNH2 Q12809 3/20 0.39
ACHE P22303 1/20 0.37
DRD2 P14416 3/20 0.37
ADRA1A P35348 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
ACKR3 P25106 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
SCHEMBL2893040 1.00 MCHR1 (0.39) MCHR1KCNH2ACHEDRD2ADRA1A
SCHEMBL2895039 0.83 DRD2 (0.39) MCHR1KCNH2ACHEDRD2ADRA1A
SCHEMBL2895044 0.83 DRD2 (0.39) MCHR1KCNH2ACHEDRD2ADRA1A
Hydrochloric Acid SCHEMBL2894858 0.82 MCHR1 (0.40) MCHR1KCNH2ACHEDRD2ADRA1A
Hydrochloric Acid SCHEMBL2894863 0.82 MCHR1 (0.40) MCHR1KCNH2ACHEDRD2ADRA1A
SCHEMBL2884088 0.81 MCHR1 (0.43) MCHR1KCNH2DRD2ADRA1ASIGMAR1
SCHEMBL2884090 0.81 MCHR1 (0.43) MCHR1KCNH2DRD2ADRA1ASIGMAR1
SCHEMBL2894055 0.79 MCHR1 (0.42) MCHR1KCNH2ACHEDRD2ADRA1A
SCHEMBL2894052 0.79 MCHR1 (0.42) MCHR1KCNH2ACHEDRD2ADRA1A
SCHEMBL2880549 0.78 GLP1R (0.41) MCHR1KCNH2DRD2DRD4

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 565/4885ACHE 3375/4885

“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.