SCHEMBL3354365

SCHEMBL3354365

CN(C)CC(=O)N1CC(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)Oc2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.46
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CCR1 P32246 1/20 0.41
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3354460 0.88 AIMP2 (0.49) AIMP2TSHRKMT2APOLBRAB9A
SCHEMBL3353187 0.88 AIMP2 (0.46) AIMP2TSHRKMT2APOLBRAB9A
SCHEMBL3353008 0.85 AIMP2 (0.52) AIMP2TSHRKMT2ACCR1
SCHEMBL3354393 0.83 RAB9A (0.47) AIMP2TSHRKMT2APOLBRAB9A
SCHEMBL3355154 0.82 AIMP2 (0.48) AIMP2TSHRKMT2ARAB9AMAPT
SCHEMBL3354307 0.81 POLB (0.56) AIMP2TSHRKMT2APOLBGAA
SCHEMBL3359550 0.76 AIMP2 (0.67) AIMP2TSHRKMT2APOLBGAA
SCHEMBL3354266 0.74 AIMP2 (0.49) AIMP2TSHRKMT2A
SCHEMBL3353758 0.73 CCR1 (0.53) CCR1
SCHEMBL3353757 0.73 CCR1 (0.53) CCR1

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
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US claimed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO 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
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

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 AIMP2 3678/4885TSHR 2264/4885KMT2A 3495/4885

“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.