SCHEMBL2877692

SCHEMBL2877692

FCCO/N=C(/c1ccc(CN2CCC(c3cnccn3)CC2)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.45
KCNH2 Q12809 5/20 0.45
CCR5 P51681 4/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ACHE P22303 1/20 0.34
CXCR3 P49682 2/20 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
SCHEMBL2877695 1.00 MCHR1 (0.45) MCHR1KCNH2CCR5JAK2JAK1
SCHEMBL2884090 0.83 MCHR1 (0.43) MCHR1KCNH2SIGMAR1DRD2DRD4
SCHEMBL2884088 0.83 MCHR1 (0.43) MCHR1KCNH2SIGMAR1DRD2DRD4
SCHEMBL2883294 0.83 MCHR1 (0.49) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2883291 0.83 MCHR1 (0.49) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2878478 0.83 MCHR1 (0.46) MCHR1KCNH2CCR5JAK2JAK1
SCHEMBL2878480 0.83 MCHR1 (0.46) MCHR1KCNH2CCR5JAK2JAK1
SCHEMBL2880546 0.81 GLP1R (0.41) MCHR1KCNH2DRD2DRD4
SCHEMBL2880549 0.81 GLP1R (0.41) MCHR1KCNH2DRD2DRD4
SCHEMBL2894055 0.80 MCHR1 (0.42) MCHR1KCNH2JAK2JAK1TYK2

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 565/4885CCR5 3055/4885

“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.