SCHEMBL3355866

SCHEMBL3355866

CC1(C)CN(CCC2CNc3cc(Cl)ccc3O2)CCC1(O)Cc1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.34
ADAMTS5 Q9UNA0 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ATF4 P18848 1/20 0.33
PARP1 P09874 2/20 0.32
DRD2 P14416 1/20 0.31
HTR7 P34969 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
XBP1 P17861 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3359475 0.95 DRD2 (0.34) MCHR1ADAMTS5HRH4HRH3ATF4
SCHEMBL3355534 0.93 MCHR1 (0.40) MCHR1ADAMTS5HRH4HRH3ATF4
SCHEMBL3359563 0.83 ADAMTS5 (0.36) MCHR1ADAMTS5ATF4MEN1KMT2A
SCHEMBL3352324 0.79 ADAMTS5 (0.42) ADAMTS5ATF4MEN1KMT2ATP53
SCHEMBL13330846 0.78
SCHEMBL3354165 0.77 DRD2 (0.49) HRH4HRH3DRD2
SCHEMBL24997269 0.69 GBA1 (0.39) MCHR1ADAMTS5HRH4HRH3LMNA
SCHEMBL3355776 0.69 HRH4 (0.38) MCHR1ADAMTS5HRH4HRH3ATF4
SCHEMBL3355773 0.68 MCHR1 (0.37) MCHR1ADAMTS5HRH4HRH3ATF4
SCHEMBL3358647 0.67 BCHE (0.46) MCHR1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
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 MCHR1 201/4885ADAMTS5 2540/4885HRH4 224/4885

“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.