SCHEMBL2876395

SCHEMBL2876395

O=c1cc(C=Cc2ccccc2)ccn1CCc1ccc(CN2CC[C@H](F)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.42
LTA4H P09960 1/20 0.39
CCR3 P51677 1/20 0.38
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
BACE1 P56817 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL2876393 1.00 MCHR1 (0.42) MCHR1LTA4HCCR3ACHEBCHE
SCHEMBL2876352 0.91 MCHR1 (0.41) MCHR1ACHEBCHEBACE1HRH3
SCHEMBL2876354 0.91 MCHR1 (0.41) MCHR1ACHEBCHEBACE1HRH3
SCHEMBL2881610 0.91 MCHR1 (0.50) MCHR1CCR3ACHEBCHEBACE1
SCHEMBL2881606 0.91 MCHR1 (0.50) MCHR1CCR3ACHEBCHEBACE1
SCHEMBL2881491 0.70 MCHR1 (0.55) MCHR1SIGMAR1
SCHEMBL2881489 0.70 MCHR1 (0.55) MCHR1SIGMAR1
SCHEMBL1848011 0.70 ACHE (0.59) LTA4HCCR3ACHEBCHEBACE1
SCHEMBL3789159 0.70 ACHE (0.59) LTA4HCCR3ACHEBCHEBACE1
SCHEMBL3780157 0.70 ACHE (0.59) LTA4HCCR3ACHEBCHEBACE1

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R MCHR1 4/4885LTA4H 529/4885CCR3 367/4885

“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.