SCHEMBL3358766

SCHEMBL3358766

CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C#N)(Cc3ccc(Cl)cc3)CC2)Oc2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.38
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
THRB P10828 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
TP53 P04637 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2799068 0.87 MC4R (0.37) SIRT2SIRT1TP53ALDH1A1
SCHEMBL3352280 0.85 MC4R (0.36) SIRT2SIRT1TP53ALDH1A1
SCHEMBL3354692 0.85 MC4R (0.36) RAB9ASIRT2SIRT1TP53ALDH1A1
SCHEMBL3355392 0.84 MC4R (0.36) MAPTLMNAALDH1A1
SCHEMBL3358997 0.84 MC4R (0.36) SIRT2SIRT1ALDH1A1
SCHEMBL3353154 0.84 MC4R (0.36) SIRT2SIRT1TP53ALDH1A1
SCHEMBL3356511 0.84 MC4R (0.36) SIRT2SIRT1TP53ALDH1A1
SCHEMBL3357362 0.84 MC4R (0.35) SIRT2SIRT1GPR119TP53ALDH1A1
SCHEMBL3355017 0.84 MC4R (0.35) RAB9ASIRT2SIRT1ALDH1A1
SCHEMBL13308309 0.84 MC4R (0.35) SIRT2SIRT1ALDH1A1

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 4 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
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 RAB9A 4434/4885POLB 3780/4885FPR2 60/4885

“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.