SCHEMBL3355776

SCHEMBL3355776

CNC1(Cc2ccc(F)cc2)CCN(CC2CNc3cc(Cl)ccc3O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MCHR1 Q99705 5/20 0.37
DRD2 P14416 3/20 0.37
ATF4 P18848 4/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
HTR2B P41595 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
KLKB1 P03952 1/20 0.31

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
SCHEMBL3355773 0.84 MCHR1 (0.37) HRH4HRH3MCHR1DRD2ATF4
SCHEMBL3432233 0.79 GRIN1 (0.46) HRH4HRH3MCHR1DRD2TP53
SCHEMBL3355534 0.76 MCHR1 (0.40) HRH4HRH3MCHR1DRD2ATF4
SCHEMBL3359475 0.76 DRD2 (0.34) HRH4HRH3MCHR1DRD2ATF4
SCHEMBL3354315 0.72 ATF4 (0.34) MCHR1DRD2ATF4ADAMTS5
SCHEMBL3355866 0.69 MCHR1 (0.34) HRH4HRH3MCHR1DRD2ATF4
SCHEMBL3355002 0.67 CCR1 (0.54)
SCHEMBL3355449 0.67 CCR1 (0.54)
SCHEMBL3359150 0.67 ADAMTS5 (0.40) ATF4ADAMTS5
SCHEMBL3353721 0.67 DRD4 (0.39) MCHR1ATF4ADAMTS5

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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US claimed

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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 HRH4 224/4885HRH3 307/4885MCHR1 201/4885

“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.