SCHEMBL3354315

SCHEMBL3354315

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3cc(Cl)ccc3O2)CC1.NCC1(Cc2ccc(F)cc2)CCN(CC2CNc3cc(Cl)ccc3O2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 4/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
MCHR1 Q99705 3/20 0.31
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL3359150 0.89 ADAMTS5 (0.40) ATF4ADAMTS5ALDH1A1
SCHEMBL3358886 0.88 ADAMTS5 (0.40) ATF4ADAMTS5ALDH1A1MEN1KMT2A
SCHEMBL3355773 0.85 MCHR1 (0.37) ATF4ADAMTS5MCHR1DRD2
SCHEMBL3355261 0.84 ADAMTS5 (0.42) ATF4ADAMTS5ALDH1A1MEN1KMT2A
SCHEMBL3353515 0.80 ALDH1A1 (0.38) ATF4ALDH1A1
SCHEMBL13330973 0.79 ALDH1A1 (0.36) ATF4ALDH1A1MEN1KMT2A
SCHEMBL3355744 0.79 ALDH1A1 (0.36) ATF4ALDH1A1
SCHEMBL3353581 0.78 ALDH1A1 (0.36) ATF4ALDH1A1
SCHEMBL3353173 0.78 ALDH1A1 (0.36) ATF4ALDH1A1
SCHEMBL3354403 0.77 ALDH1A1 (0.36) ATF4ALDH1A1

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 2 patents. 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 disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 ATF4 2359/4885ADAMTS5 2540/4885MCHR1 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.